N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-homoveratryl-2-(1H-perimidin-2-ylthio)acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)OC

InChI

InChI=1S/C23H23N3O3S/c1-28-19-10-9-15(13-20(19)29-2)11-12-24-21(27)14-30-23-25-17-7-3-5-16-6-4-8-18(26-23)22(16)17/h3-10,13H,11-12,14H2,1-2H3,(H,24,27)(H,25,26)