1-(azepan-1-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2OS/c1-14-12-17(19-16-9-5-4-8-15(14)16)22-13-18(21)20-10-6-2-3-7-11-20/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3