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

Systemtic Name: 3,5-dimethyl-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-[(4-methylpiperazino)methyl]benzoyl]benzyl]thio]quinazolin-4-one Formula: C30H32N4O2S MolecularWeight: 512.66568

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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)C

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)C

InChI

InChI=1S/C30H32N4O2S/c1-21-5-4-6-26-27(21)29(36)33(3)30(31-26)37-20-23-9-13-25(14-10-23)28(35)24-11-7-22(8-12-24)19-34-17-15-32(2)16-18-34/h4-14H,15-20H2,1-3H3