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

Systemtic Name: N-aminocarbonyl-3-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 3-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-carbamoyl-propanamide CAS Name: 3-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-carbamoylpropanamide IUPAC Name: 3-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-carbamoylpropanamide Traditional Name: 3-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-carbamoyl-propionamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCC(=O)NC(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCC(=O)NC(=O)N

InChI

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