3-(1,3-benzodioxol-5-ylmethoxy)-2-methyl-propanethioamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxy)-2-methyl-propanethioamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxy)-2-methyl-propanethioamide CAS Name: 3-(1,3-benzodioxol-5-ylmethoxy)-2-methylpropanethioamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxy)-2-methylpropanethioamide Traditional Name: 2-methyl-3-piperonyloxy-thiopropionamide Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC2=C(C=C1)OCO2)C(=S)N

Isomeric SMILES

CC(COCC1=CC2=C(C=C1)OCO2)C(=S)N

InChI

InChI=1S/C12H15NO3S/c1-8(12(13)17)5-14-6-9-2-3-10-11(4-9)16-7-15-10/h2-4,8H,5-7H2,1H3,(H2,13,17)