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

Systemtic Name: sodium 3-bromanyl-N-(2-methyl-4-oxidanidylperoxysulfanyl-phenyl)propanethioamide Openeye Name: sodium 3-bromo-N-(2-methyl-4-oxidoperoxysulfanyl-phenyl)propanethioamide CAS Name: sodium 4-[(3-bromo-1-sulfanylidenepropyl)amino]-3-methylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium 3-bromo-N-(2-methyl-4-oxidoperoxysulfanylphenyl)propanethioamide Traditional Name: sodium 3-bromo-N-[2-methyl-4-(oxidoperoxythio)phenyl]thiopropionamide Formula: C10H11BrNNaO3S2 MolecularWeight: 360.22301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO3S2.Na/c1-7-6-8(17-15-14-13)2-3-9(7)12-10(16)4-5-11;/h2-3,6,13H,4-5H2,1H3,(H,12,16);/q;+1/p-1