N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(methylthio)propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanylpropanamide Traditional Name: N-homopiperonyl-3-(methylthio)propionamide Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCCC(=O)NCCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO3S/c1-18-7-5-13(15)14-6-4-10-2-3-11-12(8-10)17-9-16-11/h2-3,8H,4-7,9H2,1H3,(H,14,15)