5-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methoxy]-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 5-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methoxy]-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-benzoyl-2-benzylsulfanyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]quinazolin-4-one CAS Name: 3-benzoyl-5-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methoxy]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 3-benzoyl-2-benzylsulfanyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]quinazolin-4-one Traditional Name: 3-benzoyl-2-(benzylthio)-5-[4-(4-methylpiperazine-1-carbonyl)benzyl]oxy-quinazolin-4-one Formula: C35H32N4O4S MolecularWeight: 604.71798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3C(=O)N(C(=N4)SCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3C(=O)N(C(=N4)SCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H32N4O4S/c1-37-19-21-38(22-20-37)32(40)28-17-15-25(16-18-28)23-43-30-14-8-13-29-31(30)34(42)39(33(41)27-11-6-3-7-12-27)35(36-29)44-24-26-9-4-2-5-10-26/h2-18H,19-24H2,1H3