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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C19H17BrN4O4S MolecularWeight: 477.33168

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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[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN4O4S/c1-2-9-23-18(26)13-10-12(20)7-8-14(13)22-19(23)29-11-17(25)21-15-5-3-4-6-16(15)24(27)28/h3-8,10H,2,9,11H2,1H3,(H,21,25)