sodium N3'-(2,5-dimethoxyphenyl)carbothioyl-N1'-(3-fluoranyl-2,5-dimethoxy-phenyl)carbothioyl-N1',N3'-dimethyl-propanedihydrazide

Systemtic Name: sodium N3'-(2,5-dimethoxyphenyl)carbothioyl-N1'-(3-fluoranyl-2,5-dimethoxy-phenyl)carbothioyl-N1',N3'-dimethyl-propanedihydrazide Openeye Name: sodium N3'-(2,5-dimethoxybenzenecarbothioyl)-N1'-(3-fluoro-2,5-dimethoxy-benzenecarbothioyl)-N1',N3'-dimethyl-propanedihydrazide CAS Name: sodium N3'-[(2,5-dimethoxyphenyl)-sulfanylidenemethyl]-N1'-[(3-fluoro-2,5-dimethoxyphenyl)-sulfanylidenemethyl]-N1',N3'-dimethylpropanedihydrazide IUPAC Name: sodium 3-N'-(2,5-dimethoxybenzenecarbothioyl)-1-N'-(3-fluoro-2,5-dimethoxybenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide Traditional Name: sodium N3'-(2,5-dimethoxythiobenzoyl)-N1'-(3-fluoro-2,5-dimethoxy-thiobenzoyl)-N1',N3'-dimethyl-malonohydrazide Formula: C46H54F2N8NaO12S4+ MolecularWeight: 1100.213936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)C1=CC(=CC(=C1OC)F)OC)NC(=O)CC(=O)NN(C)C(=S)C2=C(C=CC(=C2)OC)OC.CN(C(=S)C1=CC(=CC(=C1OC)F)OC)NC(=O)CC(=O)NN(C)C(=S)C2=C(C=CC(=C2)OC)OC.[Na+]

Isomeric SMILES

CN(C(=S)C1=CC(=CC(=C1OC)F)OC)NC(=O)CC(=O)NN(C)C(=S)C2=C(C=CC(=C2)OC)OC.CN(C(=S)C1=CC(=CC(=C1OC)F)OC)NC(=O)CC(=O)NN(C)C(=S)C2=C(C=CC(=C2)OC)OC.[Na+]

InChI

InChI=1S/2C23H27FN4O6S2.Na/c2*1-27(22(35)15-9-13(31-3)7-8-18(15)33-5)25-19(29)12-20(30)26-28(2)23(36)16-10-14(32-4)11-17(24)21(16)34-6;/h2*7-11H,12H2,1-6H3,(H,25,29)(H,26,30);/q;;+1