N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3,7-dimethyl-2-quinolyl)thio]-N-homoveratryl-acetamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N2O3S/c1-15-5-7-18-12-16(2)23(25-19(18)11-15)29-14-22(26)24-10-9-17-6-8-20(27-3)21(13-17)28-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26)