2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C22H29ClN4O2S MolecularWeight: 449.00926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C22H29ClN4O2S/c1-6-7-8-11-27-20(29)17-10-9-16(23)12-18(17)25-21(27)30-15(4)19(28)26-22(5,13-24)14(2)3/h9-10,12,14-15H,6-8,11H2,1-5H3,(H,26,28)