N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-homopiperonyl-nicotinamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3S/c1-2-3-4-12-26-20-16(6-5-10-22-20)19(23)21-11-9-15-7-8-17-18(13-15)25-14-24-17/h5-8,10,13H,2-4,9,11-12,14H2,1H3,(H,21,23)