N-(1,3-benzodioxol-5-ylmethyl)pentanethioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)pentanethioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)pentanethioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)pentanethioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)pentanethioamide Traditional Name: N-piperonylthiovaleramide Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO2S/c1-2-3-4-13(17)14-8-10-5-6-11-12(7-10)16-9-15-11/h5-7H,2-4,8-9H2,1H3,(H,14,17)