RT7
Summary
| Name: | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate |
| Synonyms: | S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate |
| Formula: | C18 H16 Cl3 N3 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 508.826 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | S-[2-[(2-chloro-4-sulfamoyl-phenyl)amino]-2-oxo-ethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[S](=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1 |
| SMILES | CACTVS | 3.352 | N[S](=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H16Cl3N3O4S2/c19-11-6-10-2-1-5-24(17(10)14(21)7-11)18(26)29-9-16(25)23-15-4-3-12(8-13(15)20)30(22,27)28/h3-4,6-8H,1-2,5,9H2,(H,23,25)(H2,22,27,28) |
| InChIKey | InChI | 1.03 | SZLMFNKKFJUHKQ-UHFFFAOYSA-N |
