2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(7-methoxy-4-phenyl-2-quinolyl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-33-21-10-11-22-23(20-7-3-2-4-8-20)18-26(29-24(22)17-21)34-19-27(32)31-15-13-30(14-16-31)25-9-5-6-12-28-25/h2-12,17-18H,13-16,19H2,1H3