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

Systemtic Name: 2-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]benzoic acid Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClNO3S/c22-16-9-11-17(12-10-16)27-13-14-5-7-15(8-6-14)20(24)23-19-4-2-1-3-18(19)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)