2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]-3H-isoindol-1-one

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]-3H-isoindol-1-one Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]isoindolin-1-one CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]but-2-ynyl]-3H-isoindol-1-one IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]but-2-ynyl]-3H-isoindol-1-one Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]but-2-ynyl]isoindolin-1-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCN2CC3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC#CCN2CC3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H22N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,11-17H2