N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-homoveratryl-2-(2-quinolylthio)acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-18-9-7-15(13-19(18)26-2)11-12-22-20(24)14-27-21-10-8-16-5-3-4-6-17(16)23-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)