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

Systemtic Name: ethyl 4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H28N4O4S/c1-2-29-21(28)24-14-12-23(13-15-24)18(26)10-4-3-7-11-25-19(27)16-8-5-6-9-17(16)22-20(25)30/h5-6,8-9H,2-4,7,10-15H2,1H3,(H,22,30)