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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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