3-(2,5-dimethoxyphenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,5-dimethoxyphenyl)-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,5-dimethoxyphenyl)-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,5-dimethoxyphenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,5-dimethoxyphenyl)-2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]quinazolin-4-one Formula: C29H30N4O6S2 MolecularWeight: 594.7017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C29H30N4O6S2/c1-20-8-11-22(12-9-20)41(36,37)32-16-14-31(15-17-32)27(34)19-40-29-30-24-7-5-4-6-23(24)28(35)33(29)25-18-21(38-2)10-13-26(25)39-3/h4-13,18H,14-17,19H2,1-3H3