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PDB Info pages Status search Chemie search: 43993 results BIRD

JEO

JEO
Name:	(3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
Formula:	C21 H32 N2 O3
SMILES:	C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN
InChi:	InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15-,16-,17-,20+,21-/m0/s1
Definition date:	2021-05-27
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione

U0N

U0N
Name:	4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C18 H23 N9
SMILES:	C[CH]1CCCN1c2n(C)c3nc(Nc4cn(C)nc4C)nc(N)c3c2C#N
InChi:	InChI=1S/C18H23N9/c1-10-6-5-7-27(10)17-12(8-19)14-15(20)22-18(23-16(14)26(17)4)21-13-9-25(3)24-11(13)2/h9-10H,5-7H2,1-4H3,(H3,20,21,22,23)/t10-/m1/s1
Synonyms:	4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Definition date:	2021-01-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

U0Q

U0Q
Name:	4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C17 H21 N9
SMILES:	C[CH]1CCCN1c2n(C)c3nc(Nc4cnn(C)c4)nc(N)c3c2C#N
InChi:	InChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1
Synonyms:	4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Definition date:	2021-01-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

U0T

U0T
Name:	4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C21 H27 N9 O
SMILES:	C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N
InChi:	InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14+/m1/s1
Synonyms:	4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Definition date:	2021-01-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

V8Z

V8Z
Name:	(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
Formula:	C15 H24
SMILES:	CC1=CCC(C)(C)C=CCC(=CCC1)C
InChi:	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
Synonyms:	(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Definition date:	2021-04-30
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

X52

X52
Name:	N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide
Formula:	C22 H28 N6 O2 S2
SMILES:	CCc1c(C#N)c(N(CCNC)C)nc(c1C#N)SCc2ccc(cc2)N(C)S(C)(=O)=O
InChi:	InChI=1S/C22H28N6O2S2/c1-6-18-19(13-23)21(27(3)12-11-25-2)26-22(20(18)14-24)31-15-16-7-9-17(10-8-16)28(4)32(5,29)30/h7-10,25H,6,11-12,15H2,1-5H3
Definition date:	2020-06-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide

WPD

WPD
Name:	(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	c1(c(CC)nc(N)nc1N)OCCCOc2cccc(CC(C(F)F)C(=O)O)c2
InChi:	InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m1/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

WPJ

WPJ
Name:	(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	CCc1nc(N)nc(c1OCCCOc2cccc(CC(C(F)F)C(O)=O)c2)N
InChi:	InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m0/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

KUK

KUK
Name:	(2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid
Formula:	C16 H18 N12 O5
SMILES:	NC1=NC(=O)[CH](NC(=O)Nc2ccc(nc2)C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=N1)N
InChi:	InChI=1S/C16H18N12O5/c17-11-10(13(30)24-15(18)23-11)22-16(33)20-6-1-2-7(19-5-6)12(29)21-8(14(31)32)3-4-9-25-27-28-26-9/h1-2,5,8,10H,3-4H2,(H,21,29)(H,31,32)(H2,20,22,33)(H,25,26,27,28)(H4,17,18,23,24,30)/t8-,10-/m0/s1
Synonyms:	TH9028
Definition date:	2019-06-27
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid

2YI

2YI
Name:	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
Formula:	C27 H32 Br N3 O5
SMILES:	CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3)C(=O)OC
InChi:	InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)
Definition date:	2021-06-23
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate

QX8

QX8
Name:	1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one
Formula:	C21 H24 Br N3 O
SMILES:	Brc1ccc(CN2CCN(CC2)Cc3cccc(c3)N4CCC4=O)cc1
InChi:	InChI=1S/C21H24BrN3O/c22-19-6-4-17(5-7-19)15-23-10-12-24(13-11-23)16-18-2-1-3-20(14-18)25-9-8-21(25)26/h1-7,14H,8-13,15-16H2
Definition date:	2020-08-18
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one

R8H

R8H
Name:	(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide
Formula:	C28 H30 N4 O4
SMILES:	O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CCC(=O)N2Cc3ccccc3)C(=O)NCc4ccccn4
InChi:	InChI=1S/C28H30N4O4/c33-25-15-14-24(32(25)19-21-11-5-2-6-12-21)27(35)31-23(17-20-9-3-1-4-10-20)26(34)28(36)30-18-22-13-7-8-16-29-22/h1-13,16,23-24,26,34H,14-15,17-19H2,(H,30,36)(H,31,35)/t23-,24-,26+/m1/s1
Definition date:	2020-09-18
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide

BKL

BKL
Name:	(1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
Formula:	C28 H37 Cl N2 O8
SMILES:	C2C(N(c1c(Cl)c(OC)cc(c1)CC(=CC=CC(C4(NC(OC(C(C3C(C)(C2O)O3)C)C4)=O)O)OC)C)C)=O
InChi:	InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21-,22+,25-,27-,28-/m0/s1
Definition date:	2019-02-13
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione

BKX

BKX
Name:	(1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
Formula:	C36 H50 Cl N3 O10 S2
SMILES:	c42cc(c(Cl)c(N(C)C(CC(C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(=O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)OC
InChi:	InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28-,32-,35-,36+/m1/s1
Definition date:	2019-02-20
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)

RYK

RYK
Name:	(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
Formula:	C24 H28 N2 O7
SMILES:	CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4OCc5c4ccc(OC)c5OC
InChi:	InChI=1S/C24H28N2O7/c1-5-25-24(27)26-9-8-13-10-17-22(33-12-32-17)23(30-4)18(13)19(26)21-14-6-7-16(28-2)20(29-3)15(14)11-31-21/h6-7,10,19,21H,5,8-9,11-12H2,1-4H3,(H,25,27)/t19-,21+/m1/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide

T4Q

T4Q
Name:	2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide
Formula:	C17 H16 N2 O S2
SMILES:	SCCCNC(=O)c1ccccc1Sc2ccccc2C#N
InChi:	InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide

T4W

T4W
Name:	2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C16 H14 N2 O S2
SMILES:	SCCNC(=O)c1ccccc1Sc2ccccc2C#N
InChi:	InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide

T4Z

T4Z
Name:	2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
Formula:	C11 H14 Cl N O S2
SMILES:	SCCCNC(=O)CSc1ccc(Cl)cc1
InChi:	InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide

T5N

T5N
Name:	2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 Br N O2 S
SMILES:	CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5Q

T5Q
Name:	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H15 F2 N O2 S
SMILES:	CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS
InChi:	InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5T

T5T
Name:	2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 F N O2 S
SMILES:	CC(C)(Oc1ccc(F)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16FNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5W

T5W
Name:	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H15 Cl2 N O2 S
SMILES:	CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS
InChi:	InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5Z

T5Z
Name:	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C13 H18 Br N O3 S
SMILES:	COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br
InChi:	InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T6H

T6H
Name:	2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H17 N O2 S
SMILES:	CC(C)(Oc1ccccc1)C(=O)NCCS
InChi:	InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide

T6N

T6N
Name:	2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide
Formula:	C13 H19 N O2 S
SMILES:	Cc1ccc(OC(C)(C)C(=O)NCCS)cc1
InChi:	InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide

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