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

Systemtic Name: 3-(1,3-benzodioxol-5-yloxy)pentanethioamide Openeye Name: 3-(1,3-benzodioxol-5-yloxy)pentanethioamide CAS Name: 3-(1,3-benzodioxol-5-yloxy)pentanethioamide IUPAC Name: 3-(1,3-benzodioxol-5-yloxy)pentanethioamide Traditional Name: 3-(1,3-benzodioxol-5-yloxy)thiovaleramide Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)OC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(CC(=S)N)OC1=CC2=C(C=C1)OCO2

InChI

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