2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-2,5-dimethyl-piperazin-1-yl]sulfanylisoindole-1,3-dione

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-2,5-dimethyl-piperazin-1-yl]sulfanylisoindole-1,3-dione Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)sulfanyl-2,5-dimethyl-piperazin-1-yl]sulfanylisoindoline-1,3-dione CAS Name: 2-[[4-[(1,3-dioxo-2-isoindolyl)thio]-2,5-dimethyl-1-piperazinyl]thio]isoindole-1,3-dione IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)sulfanyl-2,5-dimethylpiperazin-1-yl]sulfanylisoindole-1,3-dione Traditional Name: 2-[[2,5-dimethyl-4-(phthalimidothio)piperazino]thio]isoindoline-1,3-quinone Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1SN2C(=O)C3=CC=CC=C3C2=O)C)SN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1CN(C(CN1SN2C(=O)C3=CC=CC=C3C2=O)C)SN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O4S2/c1-13-11-24(32-26-21(29)17-9-5-6-10-18(17)22(26)30)14(2)12-23(13)31-25-19(27)15-7-3-4-8-16(15)20(25)28/h3-10,13-14H,11-12H2,1-2H3