N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H24N4O2S/c1-3-13-25-19(27)16-9-5-6-10-17(16)23-20(25)28-14-18(26)24(2)21(15-22)11-7-4-8-12-21/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3