3,5-dimethyl-2-[[4-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-[(4-phenylpiperazin-1-yl)methyl]benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-[(4-phenylpiperazin-1-yl)methyl]benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-[(4-phenylpiperazino)methyl]benzoyl]benzyl]thio]quinazolin-4-one Formula: C35H34N4O2S MolecularWeight: 574.73506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CN5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CN5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C35H34N4O2S/c1-25-7-6-10-31-32(25)34(41)37(2)35(36-31)42-24-27-13-17-29(18-14-27)33(40)28-15-11-26(12-16-28)23-38-19-21-39(22-20-38)30-8-4-3-5-9-30/h3-18H,19-24H2,1-2H3