1-(2-methylpropyl)-7-methylsulfanyl-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]quinolin-2-one

Systemtic Name: 1-(2-methylpropyl)-7-methylsulfanyl-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]quinolin-2-one Openeye Name: 1-isobutyl-7-methylsulfanyl-3-[[(1-morpholinocyclohexyl)methylamino]methyl]quinolin-2-one CAS Name: 1-(2-methylpropyl)-7-(methylthio)-3-[[[1-(4-morpholinyl)cyclohexyl]methylamino]methyl]-2-quinolinone IUPAC Name: 1-(2-methylpropyl)-7-methylsulfanyl-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]quinolin-2-one Traditional Name: 1-isobutyl-7-(methylthio)-3-[[(1-morpholinocyclohexyl)methylamino]methyl]carbostyril Formula: C26H39N3O2S MolecularWeight: 457.67176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)CNCC3(CCCCC3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)CNCC3(CCCCC3)N4CCOCC4

InChI

InChI=1S/C26H39N3O2S/c1-20(2)18-29-24-16-23(32-3)8-7-21(24)15-22(25(29)30)17-27-19-26(9-5-4-6-10-26)28-11-13-31-14-12-28/h7-8,15-16,20,27H,4-6,9-14,17-19H2,1-3H3