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

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3-chlorophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-chlorobenzyl)thio]-4-keto-3-phenethyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C31H31ClN4O4S MolecularWeight: 591.12024

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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)CCC5=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)CCC5=CC=CC=C5

InChI

InChI=1S/C31H31ClN4O4S/c1-2-40-31(39)35-17-15-34(16-18-35)28(37)24-11-12-26-27(20-24)33-30(41-21-23-9-6-10-25(32)19-23)36(29(26)38)14-13-22-7-4-3-5-8-22/h3-12,19-20H,2,13-18,21H2,1H3