2-[(4-chlorophenyl)methylsulfanyl]-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]cyclohexyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Formula: C33H35ClN4O2S MolecularWeight: 587.1746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H35ClN4O2S/c34-27-16-12-25(13-17-27)23-41-33-35-30-9-5-4-8-29(30)32(40)38(33)22-24-10-14-26(15-11-24)31(39)37-20-18-36(19-21-37)28-6-2-1-3-7-28/h1-9,12-13,16-17,24,26H,10-11,14-15,18-23H2