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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NSCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(=O)NSCCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H15NO3S/c1-2-12(14)13-17-6-5-9-3-4-10-11(7-9)16-8-15-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,14)