N-(2-cyano-3-methyl-butan-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-5-6-7-10-13-26-20(28)17-11-8-9-12-18(17)24-21(26)29-14-19(27)25-22(4,15-23)16(2)3/h8-9,11-12,16H,5-7,10,13-14H2,1-4H3,(H,25,27)