N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-[2-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(2-furoyl)nipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CO2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CO2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O3S/c22-13-16-5-1-2-6-18(16)15-28-12-9-23-20(25)17-7-3-10-24(14-17)21(26)19-8-4-11-27-19/h1-2,4-6,8,11,17H,3,7,9-10,12,14-15H2,(H,23,25)