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

Systemtic Name: 2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H17N5O5S/c27-18(12-25-19(28)14-3-1-2-4-15(14)20(25)29)23-7-9-24(10-8-23)21-22-16-6-5-13(26(30)31)11-17(16)32-21/h1-6,11H,7-10,12H2