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

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-(4-phenylpiperazine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-(4-phenylpiperazine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(4-phenylpiperazine-1-carbonyl)benzoyl]benzyl]thio]quinazolin-4-one Formula: C35H32N4O3S MolecularWeight: 588.71858

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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)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)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C35H32N4O3S/c1-24-7-6-10-30-31(24)34(42)37(2)35(36-30)43-23-25-11-13-26(14-12-25)32(40)27-15-17-28(18-16-27)33(41)39-21-19-38(20-22-39)29-8-4-3-5-9-29/h3-18H,19-23H2,1-2H3