4-(1,3-benzodioxol-5-ylmethoxy)butanethioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanethioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanethioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanethioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanethioamide Traditional Name: 4-piperonyloxythiobutyramide Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCCCC(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCCCC(=S)N

InChI

InChI=1S/C12H15NO3S/c13-12(17)2-1-5-14-7-9-3-4-10-11(6-9)16-8-15-10/h3-4,6H,1-2,5,7-8H2,(H2,13,17)