2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H25ClN4O2S/c1-3-11-26-19(28)16-8-7-15(22)12-17(16)24-20(26)29-14(2)18(27)25-21(13-23)9-5-4-6-10-21/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,25,27)