2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]but-2-ynyl]isoindoline-1,3-quinone Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H20N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-4,7-10H,11-16H2