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

Systemtic Name: 4-methyl-3-[[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-phenyl-2-[[3-(p-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C30H26N2O4S MolecularWeight: 510.60344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O4S/c1-19-11-14-22(15-12-19)28(33)31-24-9-6-10-25(18-24)37-27(21-7-4-3-5-8-21)29(34)32-26-17-23(30(35)36)16-13-20(26)2/h3-18,27H,1-2H3,(H,31,33)(H,32,34)(H,35,36)