4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(E)-(4-chlorophenyl)sulfonylimino-phenylmethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]thiocarbamoylamino]benzoic acid Formula: C21H16ClN3O4S2 MolecularWeight: 473.95244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16ClN3O4S2/c22-16-8-12-18(13-9-16)31(28,29)25-19(14-4-2-1-3-5-14)24-21(30)23-17-10-6-15(7-11-17)20(26)27/h1-13H,(H,26,27)(H2,23,24,25,30)