5-nitro-2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-thenyl)piperazino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c24-17(21-7-5-20(6-8-21)11-14-2-1-9-29-14)12-22-18(25)15-4-3-13(23(27)28)10-16(15)19(22)26/h1-4,9-10H,5-8,11-12H2