4-[[N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamothioylamino]benzoate

Systemtic Name: 4-[[N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamothioylamino]benzoate Openeye Name: 4-[[N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(4-chlorophenyl)sulfonylimino-phenylmethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioylamino]benzoate Traditional Name: 4-[[N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]thiocarbamoylamino]benzoate Formula: C21H15ClN3O4S2- MolecularWeight: 472.9445

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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(=NS(=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)/p-1