sodium N-(2-iodanylethyl)-4-methyl-3-oxidanidylperoxysulfanyl-benzenecarbothioamide

Systemtic Name: sodium N-(2-iodanylethyl)-4-methyl-3-oxidanidylperoxysulfanyl-benzenecarbothioamide Openeye Name: sodium N-(2-iodoethyl)-4-methyl-3-oxidoperoxysulfanyl-benzenecarbothioamide CAS Name: sodium 5-[(2-iodoethylamino)-sulfanylidenemethyl]-2-methylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium N-(2-iodoethyl)-4-methyl-3-oxidoperoxysulfanylbenzenecarbothioamide Traditional Name: sodium N-(2-iodoethyl)-4-methyl-3-(oxidoperoxythio)thiobenzamide Formula: C10H11INNaO3S2 MolecularWeight: 407.22348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=S)NCCI)SOO[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=S)NCCI)SOO[O-].[Na+]

InChI

InChI=1S/C10H12INO3S2.Na/c1-7-2-3-8(10(16)12-5-4-11)6-9(7)17-15-14-13;/h2-3,6,13H,4-5H2,1H3,(H,12,16);/q;+1/p-1