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

Systemtic Name: N-(1-cyanocyclohexyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C23H30N4O2S/c1-2-3-4-10-15-27-21(29)18-11-6-7-12-19(18)25-22(27)30-16-20(28)26-23(17-24)13-8-5-9-14-23/h6-7,11-12H,2-5,8-10,13-16H2,1H3,(H,26,28)