N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C24H27FN2O2S MolecularWeight: 426.546783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2F)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H27FN2O2S/c25-22-9-5-4-8-21(22)18-30-17-14-26-24(29)20-12-15-27(16-13-20)23(28)11-10-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,26,29)/b11-10+