methyl N'-tert-butyl-N-(2-chlorophenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-tert-butyl-N-(2-chlorophenyl)carbamimidothioate hydroiodide Openeye Name: 3-tert-butyl-1-(2-chlorophenyl)-2-methyl-isothiourea hydroiodide CAS Name: N'-tert-butyl-N-(2-chlorophenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-tert-butyl-N-(2-chlorophenyl)carbamimidothioate hydroiodide Traditional Name: 3-tert-butyl-1-(2-chlorophenyl)-2-methyl-isothiourea hydroiodide Formula: C12H18ClIN2S MolecularWeight: 384.70719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=CC=CC=C1Cl)SC.I

Isomeric SMILES

CC(C)(C)N=C(NC1=CC=CC=C1Cl)SC.I

InChI

InChI=1S/C12H17ClN2S.HI/c1-12(2,3)15-11(16-4)14-10-8-6-5-7-9(10)13;/h5-8H,1-4H3,(H,14,15);1H