2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: N-homoveratryl-2-(piperonylthio)acetamide Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H23NO5S/c1-23-16-5-3-14(9-18(16)24-2)7-8-21-20(22)12-27-11-15-4-6-17-19(10-15)26-13-25-17/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,21,22)