N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(2-thenoyl)isonipecotamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c22-14-17-4-1-2-5-18(17)15-27-13-9-23-20(25)16-7-10-24(11-8-16)21(26)19-6-3-12-28-19/h1-6,12,16H,7-11,13,15H2,(H,23,25)