N-[2-(azepan-1-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-[2-(azepan-1-yl)ethyl]nicotinamide Formula: C19H31N3OS MolecularWeight: 349.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NCCN2CCCCCC2

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NCCN2CCCCCC2

InChI

InChI=1S/C19H31N3OS/c1-2-3-8-16-24-19-17(10-9-11-21-19)18(23)20-12-15-22-13-6-4-5-7-14-22/h9-11H,2-8,12-16H2,1H3,(H,20,23)