2-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-(1,2-benzothiazol-3-yl)piperazino]hexyl]isoindoline-1,3-quinone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2