propyl N-(2,4-dimethylphenyl)-N'-methyl-carbamimidothioate hydroiodide

Systemtic Name: propyl N-(2,4-dimethylphenyl)-N'-methyl-carbamimidothioate hydroiodide Openeye Name: 1-(2,4-dimethylphenyl)-3-methyl-2-propyl-isothiourea hydroiodide CAS Name: N-(2,4-dimethylphenyl)-N'-methylcarbamimidothioic acid propyl ester hydroiodide IUPAC Name: propyl N-(2,4-dimethylphenyl)-N'-methylcarbamimidothioate hydroiodide Traditional Name: 1-(2,4-dimethylphenyl)-3-methyl-2-propyl-isothiourea hydroiodide Formula: C13H21IN2S MolecularWeight: 364.28871

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NC)NC1=C(C=C(C=C1)C)C.I

Isomeric SMILES

CCCSC(=NC)NC1=C(C=C(C=C1)C)C.I

InChI

InChI=1S/C13H20N2S.HI/c1-5-8-16-13(14-4)15-12-7-6-10(2)9-11(12)3;/h6-7,9H,5,8H2,1-4H3,(H,14,15);1H