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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(ethylcarbamoyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)acetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(ethylcarbamoyl)acetamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O3S/c1-3-5-6-9-23-16(25)13-10-12(19)7-8-14(13)21-18(23)27-11-15(24)22-17(26)20-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H2,20,22,24,26)