3-cyclohexyl-2-phenacylsulfanyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 3-cyclohexyl-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-(phenacylthio)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C33H34N4O3S MolecularWeight: 566.71306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=C2SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=C2SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H34N4O3S/c38-30(24-10-4-1-5-11-24)23-41-33-34-29-22-25(16-17-28(29)32(40)37(33)27-14-8-3-9-15-27)31(39)36-20-18-35(19-21-36)26-12-6-2-7-13-26/h1-2,4-7,10-13,16-17,22,27H,3,8-9,14-15,18-21,23H2