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

Systemtic Name: 4-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[4-[(4-fluorobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN2O4S/c1-14(21(27)25-18-8-4-16(5-9-18)23(29)30)31-20-12-10-19(11-13-20)26-22(28)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,25,27)(H,26,28)(H,29,30)