2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(propylcarbamoyl)acetamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC

InChI

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