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

Systemtic Name: N-aminocarbonyl-2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-carbamoyl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-carbamoylacetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-carbamoylacetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-carbamoyl-acetamide Formula: C16H19BrN4O3S MolecularWeight: 427.31606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)N

InChI

InChI=1S/C16H19BrN4O3S/c1-2-3-4-7-21-14(23)11-8-10(17)5-6-12(11)19-16(21)25-9-13(22)20-15(18)24/h5-6,8H,2-4,7,9H2,1H3,(H3,18,20,22,24)