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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H26N4O2S/c1-2-3-13-25-19(27)16-9-5-6-10-17(16)23-20(25)28-14-18(26)24-21(15-22)11-7-4-8-12-21/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,24,26)