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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-homopiperonyl-2-(propylthio)nicotinamide Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3S/c1-2-10-24-18-14(4-3-8-20-18)17(21)19-9-7-13-5-6-15-16(11-13)23-12-22-15/h3-6,8,11H,2,7,9-10,12H2,1H3,(H,19,21)