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

Systemtic Name: ethyl 4-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H22N4O4S/c1-2-30-22(29)25-13-11-24(12-14-25)19(27)15-7-9-16(10-8-15)26-20(28)17-5-3-4-6-18(17)23-21(26)31/h3-10H,2,11-14H2,1H3,(H,23,31)