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

Systemtic Name: 4-methyl-3-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[3-(o-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C24H22N2O4S/c1-15-6-3-4-9-20(15)23(28)25-18-7-5-8-19(13-18)31-14-22(27)26-21-12-17(24(29)30)11-10-16(21)2/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)