4-[[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-[(4-chlorophenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C21H18ClN3O4S2 MolecularWeight: 475.96832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H18ClN3O4S2/c22-16-5-7-18(8-6-16)25-31(28,29)19-11-9-17(10-12-19)24-21(30)23-13-14-1-3-15(4-2-14)20(26)27/h1-12,25H,13H2,(H,26,27)(H2,23,24,30)