2-chloranyl-5-[2-[3-[(3-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(3-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(3-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(3-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(3-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-(m-toluoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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