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

Systemtic Name: ethyl 4-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C22H21ClN4O4S/c1-2-31-22(30)26-10-8-25(9-11-26)19(28)14-4-3-5-16(12-14)27-20(29)17-7-6-15(23)13-18(17)24-21(27)32/h3-7,12-13H,2,8-11H2,1H3,(H,24,32)