2-[[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(1,1-diketothiolan-3-yl)piperazino]methyl]isoindoline-1,3-quinone Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H21N3O4S/c21-16-14-3-1-2-4-15(14)17(22)20(16)12-18-6-8-19(9-7-18)13-5-10-25(23,24)11-13/h1-4,13H,5-12H2