2-[2-oxidanylidene-2-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-[oxo-(2-thiophen-2-ylcyclopropyl)methyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(2-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4CC4C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4CC4C5=CC=CS5

InChI

InChI=1S/C22H21N3O4S/c26-19(13-25-21(28)14-4-1-2-5-15(14)22(25)29)23-7-9-24(10-8-23)20(27)17-12-16(17)18-6-3-11-30-18/h1-6,11,16-17H,7-10,12-13H2