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

Systemtic Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazino]propyl]isoindoline-1,3-quinone Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O2S/c27-21-16-6-1-2-7-17(16)22(28)26(21)11-5-10-24-12-14-25(15-13-24)20-18-8-3-4-9-19(18)29-23-20/h1-4,6-9H,5,10-15H2