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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)C

InChI

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