4-methyl-3-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-(o-toluoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H26N2O4S/c1-4-23(25(30)28-22-14-18(26(31)32)13-12-17(22)3)33-20-10-7-9-19(15-20)27-24(29)21-11-6-5-8-16(21)2/h5-15,23H,4H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)