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

Systemtic Name: 5-nitro-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[[4-(2-thenyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c23-17-15-4-3-13(22(25)26)10-16(15)18(24)21(17)12-20-7-5-19(6-8-20)11-14-2-1-9-27-14/h1-4,9-10H,5-8,11-12H2