N-(4-ethanoylphenyl)-2-(4,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-(4,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(4,7,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(4,7,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(4,7,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(4,7,8-trimethyl-2-quinolyl)thio]acetamide Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C)C

InChI

InChI=1S/C22H22N2O2S/c1-13-5-10-19-14(2)11-21(24-22(19)15(13)3)27-12-20(26)23-18-8-6-17(7-9-18)16(4)25/h5-11H,12H2,1-4H3,(H,23,26)