N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(3-thienylmethylsulfanyl)ethyl]-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-[2-(3-thiophenylmethylthio)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(3-thenylthio)ethyl]-1-[5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C19H22F3N3OS2 MolecularWeight: 429.52269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CSC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CSC=C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3OS2/c20-19(21,22)16-1-2-17(24-11-16)25-7-3-15(4-8-25)18(26)23-6-10-28-13-14-5-9-27-12-14/h1-2,5,9,11-12,15H,3-4,6-8,10,13H2,(H,23,26)