1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]-N-[2-(methylthio)phenyl]isonipecotamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2S/c1-28-19-5-3-2-4-18(19)24-21(27)15-10-12-25(13-11-15)14-20(26)23-17-8-6-16(22)7-9-17/h2-9,15H,10-14H2,1H3,(H,23,26)(H,24,27)