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

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H22N4O3S/c28-20(10-5-11-27-22(29)16-6-1-2-7-17(16)23(27)30)25-12-14-26(15-13-25)21-18-8-3-4-9-19(18)31-24-21/h1-4,6-9H,5,10-15H2