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

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

Isomeric SMILES

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

InChI

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