2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]benzamide Formula: C31H31N5OS MolecularWeight: 521.67574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C31H31N5OS/c1-36(2)27-19-30(35-26-12-6-4-10-24(26)27)33-22-15-17-23(18-16-22)34-31(37)25-11-5-8-14-29(25)38-28-13-7-3-9-21(28)20-32/h3-14,19,22-23H,15-18H2,1-2H3,(H,33,35)(H,34,37)