4-[[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(o-toluoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H24N2O4S/c1-19-8-5-6-13-25(19)27(32)31-23-11-7-12-24(18-23)36-26(20-9-3-2-4-10-20)28(33)30-22-16-14-21(15-17-22)29(34)35/h2-18,26H,1H3,(H,30,33)(H,31,32)(H,34,35)