N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-[4-oxo-4-(2-thienyl)butanoyl]piperidine-4-carboxamide CAS Name: 1-(1,4-dioxo-4-thiophen-2-ylbutyl)-N-[(3-fluoro-4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-[4-keto-4-(2-thienyl)butanoyl]isonipecotamide Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)F

InChI

InChI=1S/C22H25FN2O3S/c1-15-4-5-16(13-18(15)23)14-24-22(28)17-8-10-25(11-9-17)21(27)7-6-19(26)20-3-2-12-29-20/h2-5,12-13,17H,6-11,14H2,1H3,(H,24,28)