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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCCC4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCCC4)C#N

InChI

InChI=1S/C24H24N4O3S/c1-31-20-12-6-5-11-19(20)28-22(30)17-9-3-4-10-18(17)26-23(28)32-15-21(29)27-24(16-25)13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,27,29)