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

Systemtic Name: 4-methyl-3-[2-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[2-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[4-(o-toluoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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