methyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate dihydroiodide

Systemtic Name: methyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate dihydroiodide Openeye Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-methyl-isothiourea dihydroiodide CAS Name: N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioic acid methyl ester dihydroiodide IUPAC Name: methyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate dihydroiodide Traditional Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-methyl-isothiourea dihydroiodide Formula: C8H16I2N4S MolecularWeight: 454.11338

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCC1=CN=CN1)N.I.I

Isomeric SMILES

CSC(=NCCCC1=CN=CN1)N.I.I

InChI

InChI=1S/C8H14N4S.2HI/c1-13-8(9)11-4-2-3-7-5-10-6-12-7;;/h5-6H,2-4H2,1H3,(H2,9,11)(H,10,12);2*1H