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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(2-cyanophenyl)acetamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21BrN4O2S/c1-2-3-6-11-27-21(29)17-12-16(23)9-10-19(17)26-22(27)30-14-20(28)25-18-8-5-4-7-15(18)13-24/h4-5,7-10,12H,2-3,6,11,14H2,1H3,(H,25,28)