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

Systemtic Name: ethyl 4-(4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazolin-7-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[3-amyl-4-keto-2-(phenacylthio)quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O5S/c1-3-5-9-14-33-27(36)23-13-12-22(26(35)31-15-17-32(18-16-31)29(37)38-4-2)19-24(23)30-28(33)39-20-25(34)21-10-7-6-8-11-21/h6-8,10-13,19H,3-5,9,14-18,20H2,1-2H3