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

Systemtic Name: 3-[[2-[3-[(3-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[3-[(3-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[(3-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-[(3-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-(m-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(=C1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

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