| 0CI | Name: | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | Formula: | C18 H19 N5 O3 | SMILES: | CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1 | InChi: | InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1 | Definition date: | 2021-06-07 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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| UC8 | Name: | ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide | Formula: | C35 H36 N6 O3 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1 | InChi: | InChI=1S/C35H36N6O3/c1-3-32(42)38-27-13-14-30-31(20-27)41(35(44)39-30)28-15-17-40(18-16-28)22-23-9-11-25(12-10-23)33-29(24-7-5-4-6-8-24)19-26(21-37-33)34(43)36-2/h4-14,19-21,28H,3,15-18,22H2,1-2H3,(H,36,43)(H,38,42)(H,39,44) | Definition date: | 2021-02-10 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide |
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| UCE | Name: | ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | Formula: | C34 H35 N5 O3 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(CO)cc5c6ccccc6)c2c1 | InChi: | InChI=1S/C34H35N5O3/c1-2-32(41)36-27-12-13-30-31(19-27)39(34(42)37-30)28-14-16-38(17-15-28)21-23-8-10-26(11-9-23)33-29(18-24(22-40)20-35-33)25-6-4-3-5-7-25/h3-13,18-20,28,40H,2,14-17,21-22H2,1H3,(H,36,41)(H,37,42) | Definition date: | 2021-02-10 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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| UFQ | Name: | Cytosine 5'-[gamma-thio]triphosphate | Formula: | C9 H16 N3 O13 P3 S | SMILES: | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C9H16N3O13P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H2,10,11,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1 | Synonyms: | [[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid | Definition date: | 2021-02-13 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | [[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid |
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| UUK | Name: | tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | Formula: | C29 H41 N3 O4 | SMILES: | CC(C)C[CH](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C29H41N3O4/c1-22(2)19-25(31-28(35)36-29(3,4)5)27(34)30-18-12-17-26(33)32(20-23-13-8-6-9-14-23)21-24-15-10-7-11-16-24/h6-11,13-16,22,25H,12,17-21H2,1-5H3,(H,30,34)(H,31,35)/t25-/m0/s1 | Synonyms: | ~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Definition date: | 2021-03-19 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
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| UUW | Name: | N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide | Formula: | C31 H46 N4 O3 | SMILES: | CC(C)C[CH](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C31H46N4O3/c1-25(2)22-28(33-29(36)18-11-12-21-34(3)4)31(38)32-20-13-19-30(37)35(23-26-14-7-5-8-15-26)24-27-16-9-6-10-17-27/h5-10,14-17,25,28H,11-13,18-24H2,1-4H3,(H,32,38)(H,33,36)/t28-/m0/s1 | Synonyms: | (2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide | Definition date: | 2021-03-21 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | (2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide |
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| VJG | Name: | {(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid | Formula: | C15 H16 N4 O3 | SMILES: | c1(ccc(cc1)c2nnnn2)C(C3CCCC3CC(O)=O)=O | InChi: | InChI=1S/C15H16N4O3/c20-13(21)8-11-2-1-3-12(11)14(22)9-4-6-10(7-5-9)15-16-18-19-17-15/h4-7,11-12H,1-3,8H2,(H,20,21)(H,16,17,18,19)/t11-,12+/m0/s1 | Definition date: | 2020-08-17 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | {(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid |
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| VJS | Name: | {(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid | Formula: | C17 H18 O7 | SMILES: | C(C(C2C(C(c1ccc(cc1)CC(O)=O)=O)CCC2)C(O)=O)(O)=O | InChi: | InChI=1S/C17H18O7/c18-13(19)8-9-4-6-10(7-5-9)15(20)12-3-1-2-11(12)14(16(21)22)17(23)24/h4-7,11-12,14H,1-3,8H2,(H,18,19)(H,21,22)(H,23,24)/t11-,12-/m1/s1 | Definition date: | 2020-08-17 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | {(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid |
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| VNS | Name: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide | Formula: | C31 H29 F N4 O3 S | SMILES: | O=C(Nc1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4ccc(cc4)C5CCN(C)CC5)C6)=O | InChi: | InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)/t28-/m1/s1 | Definition date: | 2020-08-31 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide |
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| VO7 | Name: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide | Formula: | C27 H31 N7 O2 | SMILES: | c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C | InChi: | InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32) | Synonyms: | AZ5104 | Definition date: | 2020-08-31 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide |
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| VOY | Name: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide | Formula: | C31 H30 N8 O3 | SMILES: | CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N | InChi: | InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+ | Definition date: | 2020-08-31 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide |
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| V5B | Name: | methyl sulfate | Formula: | C H4 O4 S | SMILES: | CO[S](O)(=O)=O | InChi: | InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) | Definition date: | 2021-04-15 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | methyl hydrogen sulfate |
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| XTD | Name: | {2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone | Formula: | C19 H10 Cl F6 N O S | SMILES: | c3(C(c1c(csc1N)c2cc(C(F)(F)F)cc(c2)C(F)(F)F)=O)ccc(cc3)Cl | InChi: | InChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2 | Definition date: | 2021-01-12 | Last modified: | 2021-09-03 | Release date: | 2021-09-08 | Identifier: | {2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone |
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| MRQ | Name: | (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide | Formula: | C30 H38 N8 O5 S | SMILES: | NC(=N)NCCC[CH]1NC(=O)Cc2cccn2C(=O)CN(Cc3occc3)Cc4ccccc4CSC[CH](NC1=O)C(N)=O | InChi: | InChI=1S/C30H38N8O5S/c31-28(41)25-19-44-18-21-7-2-1-6-20(21)15-37(16-23-9-5-13-43-23)17-27(40)38-12-4-8-22(38)14-26(39)35-24(29(42)36-25)10-3-11-34-30(32)33/h1-2,4-9,12-13,24-25H,3,10-11,14-19H2,(H2,31,41)(H,35,39)(H,36,42)(H4,32,33,34)/t24-,25-/m0/s1 | Synonyms: | macrocycle N14-PR4-A | Definition date: | 2019-10-22 | Last modified: | 2021-08-28 | Release date: | 2020-09-30 | Identifier: | (14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide |
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| ODB | Name: | (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide | Formula: | C33 H46 N8 O5 S | SMILES: | NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O | InChi: | InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27-,28-/m0/s1 | Synonyms: | P2 macrocycle | Definition date: | 2020-02-27 | Last modified: | 2021-08-28 | Release date: | 2020-03-18 | Identifier: | (10~{S},14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide |
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| Z2V | Name: | N-[(1R,3S,4R,5S)-3-{(1R)-2-[(2R,4r,6S)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide | Formula: | C22 H28 N2 O5 | SMILES: | O=C1CC(CC(O)C2CC(C)(NC(=O)c3ccccc3)CC(C)C2=O)CC(=O)N1 | InChi: | InChI=1S/C22H28N2O5/c1-13-11-22(2,24-21(29)15-6-4-3-5-7-15)12-16(20(13)28)17(25)8-14-9-18(26)23-19(27)10-14/h3-7,13-14,16-17,25H,8-12H2,1-2H3,(H,24,29)(H,23,26,27)/t13-,16-,17+,22+/m0/s1 | Definition date: | 2021-04-07 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | N-{(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl}benzamide |
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| ZP6 | Name: | (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid | Formula: | C22 H24 N2 O5 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3 | InChi: | InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1 | Definition date: | 2020-08-07 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid |
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| ZRY | Name: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine | Formula: | C14 H12 N4 | SMILES: | N=C1N/C(=NNc2ccccc2)c2ccccc12 | InChi: | InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine |
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| ZS1 | Name: | (1Z)-1-imino-1H-isoindol-3-amine | Formula: | C8 H7 N3 | SMILES: | N=C1N=C(N)c2ccccc12 | InChi: | InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1Z)-1-imino-1H-isoindol-3-amine |
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| ZS7 | Name: | 3-amino-1H-isoindol-1-one | Formula: | C8 H6 N2 O | SMILES: | NC1=NC(=O)c2ccccc12 | InChi: | InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 3-amino-1H-isoindol-1-one |
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| ZSA | Name: | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide | Formula: | C9 H10 N6 | SMILES: | N=C(N)NN=C1/N=C(N)c2ccccc21 | InChi: | InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide |
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| ZSD | Name: | 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine | Formula: | C18 H24 N8 O | SMILES: | CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1 | InChi: | InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine |
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| ZSG | Name: | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide | Formula: | C15 H22 N8 O | SMILES: | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1 | InChi: | InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide |
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| ZSM | Name: | (1,4-phenylene)bis(methylene) dicarbamimidothioate | Formula: | C10 H14 N4 S2 | SMILES: | N=C(N)SCc1ccc(CSC(=N)N)cc1 | InChi: | InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1,4-phenylene)bis(methylene) dicarbamimidothioate |
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| ZSS | Name: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate | Formula: | C9 H11 Cl N2 S | SMILES: | Clc1ccc(cc1)C(C)SC(=N)N | InChi: | InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1 | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate |
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