ethyl 4-[4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23BrN4O4S MolecularWeight: 483.37932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C19H23BrN4O4S/c1-2-28-19(27)23-10-8-22(9-11-23)16(25)4-3-7-24-17(26)14-12-13(20)5-6-15(14)21-18(24)29/h5-6,12H,2-4,7-11H2,1H3,(H,21,29)