N-(1-cyanocyclopentyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C22H28N4O2S/c1-2-3-4-9-14-26-20(28)17-10-5-6-11-18(17)24-21(26)29-15-19(27)25-22(16-23)12-7-8-13-22/h5-6,10-11H,2-4,7-9,12-15H2,1H3,(H,25,27)