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

Systemtic Name: 3-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[4-[(4-fluorobenzoyl)amino]phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H19FN2O4S/c1-14-2-3-16(23(29)30)12-20(14)26-21(27)13-31-19-10-8-18(9-11-19)25-22(28)15-4-6-17(24)7-5-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27)(H,29,30)