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

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]benzamide Formula: C30H30N6OS MolecularWeight: 522.6638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N6OS/c1-36(2)28-23-10-4-6-12-25(23)34-30(35-28)33-22-17-15-21(16-18-22)32-29(37)24-11-5-8-14-27(24)38-26-13-7-3-9-20(26)19-31/h3-14,21-22H,15-18H2,1-2H3,(H,32,37)(H,33,34,35)