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

Systemtic Name: 4-[2-[3-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[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=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=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)26-18-12-8-16(9-13-18)24(30)31)32-20-5-3-4-19(14-20)27-22(28)15-6-10-17(25)11-7-15/h3-14,21H,2H2,1H3,(H,26,29)(H,27,28)(H,30,31)