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

Systemtic Name: 3-(3-methoxyphenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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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=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O5S2/c1-20-10-12-23(13-11-20)39(35,36)31-16-14-30(15-17-31)26(33)19-38-28-29-25-9-4-3-8-24(25)27(34)32(28)21-6-5-7-22(18-21)37-2/h3-13,18H,14-17,19H2,1-2H3