ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H27N5O6S MolecularWeight: 573.61958

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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(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H27N5O6S/c1-2-40-29(37)32-15-13-31(14-16-32)26(35)21-11-12-24-25(18-21)30-28(33(27(24)36)22-8-4-3-5-9-22)41-19-20-7-6-10-23(17-20)34(38)39/h3-12,17-18H,2,13-16,19H2,1H3