sodium 3-iodanyl-2-methyl-N-(3-methyl-4-oxidanidylperoxysulfanyl-phenyl)propanethioamide

Systemtic Name: sodium 3-iodanyl-2-methyl-N-(3-methyl-4-oxidanidylperoxysulfanyl-phenyl)propanethioamide Openeye Name: sodium 3-iodo-2-methyl-N-(3-methyl-4-oxidoperoxysulfanyl-phenyl)propanethioamide CAS Name: sodium 4-[(3-iodo-2-methyl-1-sulfanylidenepropyl)amino]-2-methylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium 3-iodo-2-methyl-N-(3-methyl-4-oxidoperoxysulfanylphenyl)propanethioamide Traditional Name: sodium 3-iodo-2-methyl-N-[3-methyl-4-(oxidoperoxythio)phenyl]thiopropionamide Formula: C11H13INNaO3S2 MolecularWeight: 421.25006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)C(C)CI)SOO[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)C(C)CI)SOO[O-].[Na+]

InChI

InChI=1S/C11H14INO3S2.Na/c1-7-5-9(13-11(17)8(2)6-12)3-4-10(7)18-16-15-14;/h3-5,8,14H,6H2,1-2H3,(H,13,17);/q;+1/p-1