N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-methyl-3-methylsulfanyl-indol-2-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-methyl-3-methylsulfanyl-indol-2-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-methyl-3-methylsulfanyl-indol-2-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-methyl-3-(methylthio)-2-indolyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-methyl-3-methylsulfanylindol-2-yl)acetamide Traditional Name: N-homoveratryl-2-[1-methyl-3-(methylthio)indol-2-yl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CC(=O)NCCC3=CC(=C(C=C3)OC)OC)SC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CC(=O)NCCC3=CC(=C(C=C3)OC)OC)SC

InChI

InChI=1S/C22H26N2O3S/c1-24-17-8-6-5-7-16(17)22(28-4)18(24)14-21(25)23-12-11-15-9-10-19(26-2)20(13-15)27-3/h5-10,13H,11-12,14H2,1-4H3,(H,23,25)