(5Z)-2-nitro-3-phenyl-5-(phenylmethylidene)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-3-ium-4-one

Systemtic Name: (5Z)-2-nitro-3-phenyl-5-(phenylmethylidene)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-3-ium-4-one Openeye Name: (5Z)-5-benzylidene-2-nitro-3-phenyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thiazolidin-3-ium-4-one CAS Name: (5Z)-2-nitro-3-phenyl-5-(phenylmethylene)-3-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-thiazolidin-3-iumone IUPAC Name: (5Z)-5-benzylidene-2-nitro-3-phenyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-3-ium-4-one Traditional Name: (5Z)-5-benzal-2-nitro-3-phenyl-3-[3-[4-(2-pyrimidyl)piperazino]propyl]thiazolidin-3-ium-4-one Formula: C27H29N6O3S+ MolecularWeight: 517.62256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC[N+]2(C(SC(=CC3=CC=CC=C3)C2=O)[N+](=O)[O-])C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCC[N+]2(C(S/C(=C\C3=CC=CC=C3)/C2=O)[N+](=O)[O-])C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H29N6O3S/c34-25-24(21-22-9-3-1-4-10-22)37-27(32(35)36)33(25,23-11-5-2-6-12-23)20-8-15-30-16-18-31(19-17-30)26-28-13-7-14-29-26/h1-7,9-14,21,27H,8,15-20H2/q+1/b24-21-