2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN4O2S/c1-2-12-27-21(29)18-10-9-16(23)14-19(18)25-22(27)30-15-20(28)26(13-6-11-24)17-7-4-3-5-8-17/h3-5,7-10,14H,2,6,12-13,15H2,1H3