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

Systemtic Name: 3-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(o-toluoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4S/c1-3-22(24(29)27-18-10-6-9-17(14-18)25(30)31)32-20-12-7-11-19(15-20)26-23(28)21-13-5-4-8-16(21)2/h4-15,22H,3H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)