sodium N1',N3'-bis[(3-fluorophenyl)carbothioyl]-N1',N3'-dimethyl-propanedihydrazide

Systemtic Name: sodium N1',N3'-bis[(3-fluorophenyl)carbothioyl]-N1',N3'-dimethyl-propanedihydrazide Openeye Name: sodium N1',N3'-bis(3-fluorobenzenecarbothioyl)-N1',N3'-dimethyl-propanedihydrazide CAS Name: sodium N1',N3'-bis[(3-fluorophenyl)-sulfanylidenemethyl]-N1',N3'-dimethylpropanedihydrazide IUPAC Name: sodium 1-N',3-N'-bis(3-fluorobenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide Traditional Name: sodium N1',N3'-bis(3-fluorothiobenzoyl)-N1',N3'-dimethyl-malonohydrazide Formula: C38H36F4N8NaO4S4+ MolecularWeight: 895.987023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H18F2N4O2S2.Na/c2*1-24(18(28)12-5-3-7-14(20)9-12)22-16(26)11-17(27)23-25(2)19(29)13-6-4-8-15(21)10-13;/h2*3-10H,11H2,1-2H3,(H,22,26)(H,23,27);/q;;+1