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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylsulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylsulfanylacetamide Traditional Name: N-homoveratryl-2-(phenylthio)-N-piperonyl-acetamide Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=CC=CC=C4)OC

InChI

InChI=1S/C26H27NO5S/c1-29-22-10-8-19(14-24(22)30-2)12-13-27(26(28)17-33-21-6-4-3-5-7-21)16-20-9-11-23-25(15-20)32-18-31-23/h3-11,14-15H,12-13,16-18H2,1-2H3