2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]-N-(4-piperidinophenyl)acetamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C27H27N5O2S/c1-31-16-13-28-27(31)26(34)22-17-25(30-23-8-4-3-7-21(22)23)35-18-24(33)29-19-9-11-20(12-10-19)32-14-5-2-6-15-32/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3,(H,29,33)