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

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3-chlorophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-chlorobenzyl)thio]-4-keto-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H27ClN4O4S MolecularWeight: 563.06708

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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)Cl)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)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O4S/c1-2-38-29(37)33-15-13-32(14-16-33)26(35)21-11-12-24-25(18-21)31-28(39-19-20-7-6-8-22(30)17-20)34(27(24)36)23-9-4-3-5-10-23/h3-12,17-18H,2,13-16,19H2,1H3