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

Systemtic Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]isoindole-1,3-dione Openeye Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]isoindoline-1,3-dione CAS Name: 2-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]propoxy]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]isoindole-1,3-dione Traditional Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazino]propoxy]isoindoline-1,3-quinone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCON2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCON2C(=O)C3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O3S/c27-21-16-6-1-2-7-17(16)22(28)26(21)29-15-5-10-24-11-13-25(14-12-24)20-18-8-3-4-9-19(18)30-23-20/h1-4,6-9H,5,10-15H2