2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-propan-2-yl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-isopropyl-acetamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-N-propan-2-ylacetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-(piperonylthio)acetamide Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)NC(=O)CSCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO3S/c1-9(2)14-13(15)7-18-6-10-3-4-11-12(5-10)17-8-16-11/h3-5,9H,6-8H2,1-2H3,(H,14,15)