2-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H17BrN4O3S/c22-13-5-6-16-17(11-13)30-21(23-16)25-9-7-24(8-10-25)18(27)12-26-19(28)14-3-1-2-4-15(14)20(26)29/h1-6,11H,7-10,12H2