N-(1-cyanocyclopentyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C24H24N4O2S/c1-2-17-9-11-18(12-10-17)28-22(30)19-7-3-4-8-20(19)26-23(28)31-15-21(29)27-24(16-25)13-5-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,27,29)