N-(1-cyanocyclohexyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NC4(CCCCC4)C#N

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NC4(CCCCC4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-26-20(28)17-11-15-7-3-4-8-16(15)12-18(17)24-21(26)29-13-19(27)25-22(14-23)9-5-2-6-10-22/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,25,27)