N-[2-(phenylmethylsulfanyl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-piperonylamide Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C17H17NO3S/c19-17(14-6-7-15-16(10-14)21-12-20-15)18-8-9-22-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,18,19)