4-[2-[3-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-[(3-chlorobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H21ClN2O4S/c1-2-21(23(29)26-18-11-9-15(10-12-18)24(30)31)32-20-8-4-7-19(14-20)27-22(28)16-5-3-6-17(25)13-16/h3-14,21H,2H2,1H3,(H,26,29)(H,27,28)(H,30,31)