N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-2-prop-2-enylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-2-prop-2-enylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-allylsulfanyl-N-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]pyridine-3-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]-2-(prop-2-enylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-2-prop-2-enylsulfanylpyridine-3-carboxamide Traditional Name: 2-(allylthio)-N-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]nicotinamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C26H31N5OS/c1-4-16-33-26-21(9-7-15-27-26)25(32)29-19-13-11-18(12-14-19)28-24-17-23(31(2)3)20-8-5-6-10-22(20)30-24/h4-10,15,17-19H,1,11-14,16H2,2-3H3,(H,28,30)(H,29,32)