4-(dioxidanylsulfanyl)-N1,N2-bis(2-iodanylethyl)-5-methyl-benzene-1,2-dicarbothioamide

Systemtic Name: 4-(dioxidanylsulfanyl)-N1,N2-bis(2-iodanylethyl)-5-methyl-benzene-1,2-dicarbothioamide Openeye Name: 4-hydroperoxysulfanyl-N1,N2-bis(2-iodoethyl)-5-methyl-benzene-1,2-dicarbothioamide CAS Name: 4,5-bis[(2-iodoethylamino)-sulfanylidenemethyl]-2-methylbenzenesulfenoperoxoic acid IUPAC Name: 4-hydroperoxysulfanyl-1-N,2-N-bis(2-iodoethyl)-5-methylbenzene-1,2-dicarbothioamide Traditional Name: 4-(hydroperoxythio)-N,N'-bis(2-iodoethyl)-5-methyl-benzene-1,2-dicarbothioamide Formula: C13H16I2N2O2S3 MolecularWeight: 582.28228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=S)NCCI)C(=S)NCCI)SOO

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=S)NCCI)C(=S)NCCI)SOO

InChI

InChI=1S/C13H16I2N2O2S3/c1-8-6-9(12(20)16-4-2-14)10(7-11(8)22-19-18)13(21)17-5-3-15/h6-7,18H,2-5H2,1H3,(H,16,20)(H,17,21)