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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C

InChI

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