methyl N'-(2,6-dimethylphenyl)-N,N-dimethyl-carbamimidothioate iodide

Systemtic Name: methyl N'-(2,6-dimethylphenyl)-N,N-dimethyl-carbamimidothioate iodide Openeye Name: 3-(2,6-dimethylphenyl)-1,1,2-trimethyl-isothiourea iodide CAS Name: N'-(2,6-dimethylphenyl)-N,N-dimethylcarbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-(2,6-dimethylphenyl)-N,N-dimethylcarbamimidothioate iodide Traditional Name: 3-(2,6-dimethylphenyl)-1,1,2-trimethyl-isothiourea iodide Formula: C12H18IN2S- MolecularWeight: 349.25419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N(C)C)SC.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N(C)C)SC.[I-]

InChI

InChI=1S/C12H18N2S.HI/c1-9-7-6-8-10(2)11(9)13-12(15-5)14(3)4;/h6-8H,1-5H3;1H/p-1