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

Systemtic Name: 3-[2-[4-[(3-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-(m-toluoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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