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

Systemtic Name: ethyl 4-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C19H24N4O4S/c1-2-27-19(26)22-12-10-21(11-13-22)16(24)8-5-9-23-17(25)14-6-3-4-7-15(14)20-18(23)28/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,28)