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

Systemtic Name: 3-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[(4-fluorobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H17FN2O4S MolecularWeight: 424.444783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O4S/c23-16-6-4-14(5-7-16)21(27)25-17-8-10-19(11-9-17)30-13-20(26)24-18-3-1-2-15(12-18)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)