sodium N-(2-chloroethyl)-2,5-dimethyl-4-oxidanidylperoxysulfanyl-benzenecarbothioamide

Systemtic Name: sodium N-(2-chloroethyl)-2,5-dimethyl-4-oxidanidylperoxysulfanyl-benzenecarbothioamide Openeye Name: sodium N-(2-chloroethyl)-2,5-dimethyl-4-oxidoperoxysulfanyl-benzenecarbothioamide CAS Name: sodium 4-[(2-chloroethylamino)-sulfanylidenemethyl]-2,5-dimethylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium N-(2-chloroethyl)-2,5-dimethyl-4-oxidoperoxysulfanylbenzenecarbothioamide Traditional Name: sodium N-(2-chloroethyl)-2,5-dimethyl-4-(oxidoperoxythio)thiobenzamide Formula: C11H13ClNNaO3S2 MolecularWeight: 329.79859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=S)NCCCl)C)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C(=S)NCCCl)C)SOO[O-].[Na+]

InChI

InChI=1S/C11H14ClNO3S2.Na/c1-7-6-10(18-16-15-14)8(2)5-9(7)11(17)13-4-3-12;/h5-6,14H,3-4H2,1-2H3,(H,13,17);/q;+1/p-1