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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H25ClN4O2S/c1-2-3-7-14-29-23(31)20-12-11-18(25)16-21(20)27-24(29)32-17-22(30)28(15-8-13-26)19-9-5-4-6-10-19/h4-6,9-12,16H,2-3,7-8,14-15,17H2,1H3