N-aminocarbonyl-2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-3-methyl-butanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C17H21BrN4O3S/c1-4-7-22-15(24)11-8-10(18)5-6-12(11)20-17(22)26-13(9(2)3)14(23)21-16(19)25/h5-6,8-9,13H,4,7H2,1-3H3,(H3,19,21,23,25)