1-[2-(phenylmethylsulfanyl)propanoyl]-N-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(phenylmethylsulfanyl)propanoyl]-N-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: 1-(2-benzylsulfanylpropanoyl)-N-(4-pyridyl)piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-(phenylmethylthio)propyl]-N-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: 1-(2-benzylsulfanylpropanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: 1-[2-(benzylthio)propanoyl]-N-(4-pyridyl)isonipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC=NC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC=NC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-16(27-15-17-5-3-2-4-6-17)21(26)24-13-9-18(10-14-24)20(25)23-19-7-11-22-12-8-19/h2-8,11-12,16,18H,9-10,13-15H2,1H3,(H,22,23,25)