4-[[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[3-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]-3-methyl-benzoic acid Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClNO3S/c1-14-11-17(22(26)27)5-10-20(14)24-21(25)16-4-2-3-15(12-16)13-28-19-8-6-18(23)7-9-19/h2-12H,13H2,1H3,(H,24,25)(H,26,27)