3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanamide Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanamide CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethylthio]propanamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanamide Traditional Name: 3-(homopiperonylthio)propionamide Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSCCC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSCCC(=O)N

InChI

InChI=1S/C12H15NO3S/c13-12(14)4-6-17-5-3-9-1-2-10-11(7-9)16-8-15-10/h1-2,7H,3-6,8H2,(H2,13,14)