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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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