2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(1-cyanocyclopentyl)acetamide Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN4O2S/c23-15-8-9-18-17(12-15)20(29)27(16-6-2-1-3-7-16)21(25-18)30-13-19(28)26-22(14-24)10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13H2,(H,26,28)