1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

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