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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H18N4O3S/c26-18(13-25-19(27)14-5-1-2-6-15(14)20(25)28)23-9-11-24(12-10-23)21-22-16-7-3-4-8-17(16)29-21/h1-8H,9-13H2