3-(1,3-benzodioxol-5-ylmethoxy)pentanethioamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanethioamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanethioamide CAS Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanethioamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxy)pentanethioamide Traditional Name: 3-piperonyloxythiovaleramide Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)OCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(CC(=S)N)OCC1=CC2=C(C=C1)OCO2

InChI

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