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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-homoveratryl-2-[(4-methyl-2-quinolyl)thio]propionamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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