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

Systemtic Name: 2-chloranyl-5-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[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=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O4S/c1-3-22(24(30)28-17-11-12-21(26)20(14-17)25(31)32)33-18-9-6-8-16(13-18)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)