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

Systemtic Name: 4-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-[(2-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=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)F

InChI

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