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

Systemtic Name: 3-[2-[3-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O4S/c1-2-21(23(29)27-18-6-3-5-16(13-18)24(30)31)32-20-8-4-7-19(14-20)26-22(28)15-9-11-17(25)12-10-15/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29)(H,30,31)