2-(4-methylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H22N4OS/c1-16-14-20(23-18-7-3-2-6-17(16)18)27-15-21(26)25-12-10-24(11-13-25)19-8-4-5-9-22-19/h2-9,14H,10-13,15H2,1H3