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

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-keto-2-thioxo-1H-quinazolin-3-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H20N4O4S/c1-2-25-17(24)20-9-7-19(8-10-20)14(22)11-21-15(23)12-5-3-4-6-13(12)18-16(21)26/h3-6H,2,7-11H2,1H3,(H,18,26)