2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]ethanone CAS Name: 2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]ethanone Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-31-16-13-29-28(31)27(34)23-18-25(30-24-10-6-5-9-22(23)24)35-19-26(33)32-14-11-21(12-15-32)17-20-7-3-2-4-8-20/h2-10,13,16,18,21H,11-12,14-15,17,19H2,1H3