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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN4O4S/c1-3-10-24-19(27)14-11-13(21)8-9-15(14)23-20(24)30-12(2)18(26)22-16-6-4-5-7-17(16)25(28)29/h4-9,11-12H,3,10H2,1-2H3,(H,22,26)