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

Systemtic Name: ethyl 4-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C18H22N4O4S/c1-2-26-18(25)21-11-9-20(10-12-21)15(23)7-8-22-16(24)13-5-3-4-6-14(13)19-17(22)27/h3-6H,2,7-12H2,1H3,(H,19,27)