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

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(4-methylpiperazin-1-yl)carbonylphenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-(4-methylpiperazine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-oxomethyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-(4-methylpiperazine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(4-methylpiperazine-1-carbonyl)benzoyl]benzyl]thio]quinazolin-4-one Formula: C30H30N4O3S MolecularWeight: 526.6492

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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)C(=O)N5CCN(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)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C30H30N4O3S/c1-20-5-4-6-25-26(20)29(37)33(3)30(31-25)38-19-21-7-9-22(10-8-21)27(35)23-11-13-24(14-12-23)28(36)34-17-15-32(2)16-18-34/h4-14H,15-19H2,1-3H3