N-(5-methylpyridin-2-yl)-1-[2-(phenylmethylsulfanyl)propanoyl]piperidine-3-carboxamide

Systemtic Name: N-(5-methylpyridin-2-yl)-1-[2-(phenylmethylsulfanyl)propanoyl]piperidine-3-carboxamide Openeye Name: 1-(2-benzylsulfanylpropanoyl)-N-(5-methyl-2-pyridyl)piperidine-3-carboxamide CAS Name: N-(5-methyl-2-pyridinyl)-1-[1-oxo-2-(phenylmethylthio)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(2-benzylsulfanylpropanoyl)-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide Traditional Name: 1-[2-(benzylthio)propanoyl]-N-(5-methyl-2-pyridyl)nipecotamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C(C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C(C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-16-10-11-20(23-13-16)24-21(26)19-9-6-12-25(14-19)22(27)17(2)28-15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,17,19H,6,9,12,14-15H2,1-2H3,(H,23,24,26)