1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-16-13-21(24-20-8-3-2-7-19(16)20)28-15-22(27)26-11-9-25(10-12-26)18-6-4-5-17(23)14-18/h2-8,13-14H,9-12,15H2,1H3