6-[3-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one

Systemtic Name: 6-[3-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one Openeye Name: 6-[3-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]propoxy]isoindolin-1-one CAS Name: 6-[3-[4-(2,1,3-benzothiadiazol-4-yl)-1-piperazinyl]propoxy]-2,3-dihydroisoindol-1-one IUPAC Name: 6-[3-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one Traditional Name: 6-[3-(4-piazthiol-4-ylpiperazino)propoxy]isoindolin-1-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(CNC3=O)C=C2)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(CNC3=O)C=C2)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H23N5O2S/c27-21-17-13-16(6-5-15(17)14-22-21)28-12-2-7-25-8-10-26(11-9-25)19-4-1-3-18-20(19)24-29-23-18/h1,3-6,13H,2,7-12,14H2,(H,22,27)