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

Systemtic Name: 2-phenacylsulfanyl-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-4-one Openeye Name: 2-phenacylsulfanyl-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one CAS Name: 3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]cyclohexyl]methyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 2-phenacylsulfanyl-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Traditional Name: 2-(phenacylthio)-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Formula: C34H36N4O3S MolecularWeight: 580.73964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C34H36N4O3S/c39-31(26-9-3-1-4-10-26)24-42-34-35-30-14-8-7-13-29(30)33(41)38(34)23-25-15-17-27(18-16-25)32(40)37-21-19-36(20-22-37)28-11-5-2-6-12-28/h1-14,25,27H,15-24H2