ethyl 4-(4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazolin-7-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazolin-7-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[4-keto-2-(phenacylthio)-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C30H28N4O5S MolecularWeight: 556.63212

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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)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O5S/c1-2-39-30(38)33-17-15-32(16-18-33)27(36)22-13-14-24-25(19-22)31-29(34(28(24)37)23-11-7-4-8-12-23)40-20-26(35)21-9-5-3-6-10-21/h3-14,19H,2,15-18,20H2,1H3