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

Systemtic Name: 4-chloranyl-3-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(o-toluoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H23ClN2O4S/c1-3-22(24(30)28-21-13-16(25(31)32)11-12-20(21)26)33-18-9-6-8-17(14-18)27-23(29)19-10-5-4-7-15(19)2/h4-14,22H,3H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)