1-(4-fluorophenyl)carbonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-[2-(2-thienylmethylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[2-(thiophen-2-ylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[2-(2-thenylthio)ethyl]nipecotamide Formula: C20H23FN2O2S2 MolecularWeight: 406.537223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C20H23FN2O2S2/c21-17-7-5-15(6-8-17)20(25)23-10-1-3-16(13-23)19(24)22-9-12-26-14-18-4-2-11-27-18/h2,4-8,11,16H,1,3,9-10,12-14H2,(H,22,24)