N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H24N2O3S/c1-15-12-22(24-18-7-5-4-6-17(15)18)28-14-21(25)23-11-10-16-8-9-19(26-2)20(13-16)27-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25)