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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(3-cyanophenyl)acetamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17BrN4O2S/c1-2-8-25-19(27)16-10-14(21)6-7-17(16)24-20(25)28-12-18(26)23-15-5-3-4-13(9-15)11-22/h3-7,9-10H,2,8,12H2,1H3,(H,23,26)