2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C23H23BrN4O2S MolecularWeight: 499.42332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN4O2S/c1-2-3-7-13-28-22(30)19-15-17(24)10-11-20(19)26-23(28)31-16-21(29)27(14-12-25)18-8-5-4-6-9-18/h4-6,8-11,15H,2-3,7,13-14,16H2,1H3