2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C20H21ClN4O2S/c1-2-10-25-18(27)15-11-14(21)6-7-16(15)23-19(25)28-12-17(26)24-20(13-22)8-4-3-5-9-20/h2,6-7,11H,1,3-5,8-10,12H2,(H,24,26)