1-(azepan-1-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]ethanone Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C20H26N2OS/c1-14-10-16(3)20-17(11-14)15(2)12-18(21-20)24-13-19(23)22-8-6-4-5-7-9-22/h10-12H,4-9,13H2,1-3H3