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

Systemtic Name: 4-chloranyl-3-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(o-toluoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C24H21ClN2O4S/c1-14-6-3-4-9-19(14)23(29)26-17-7-5-8-18(13-17)32-15(2)22(28)27-21-12-16(24(30)31)10-11-20(21)25/h3-13,15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)