ethyl 4-[(4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carbonyl)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=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

InChI

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