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

Systemtic Name: ethyl 4-(4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazolin-7-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C32H32N4O5S MolecularWeight: 584.68528

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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)CCC5=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)CCC5=CC=CC=C5

InChI

InChI=1S/C32H32N4O5S/c1-2-41-32(40)35-19-17-34(18-20-35)29(38)25-13-14-26-27(21-25)33-31(42-22-28(37)24-11-7-4-8-12-24)36(30(26)39)16-15-23-9-5-3-6-10-23/h3-14,21H,2,15-20,22H2,1H3