methyl N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea CAS Name: N'-[2-(1H-imidazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 3-[2-(1H-imidazol-5-ylmethylthio)ethyl]-2-methyl-isothiourea Formula: C8H14N4S2 MolecularWeight: 230.35356

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CN=CN1)N

Isomeric SMILES

CSC(=NCCSCC1=CN=CN1)N

InChI

InChI=1S/C8H14N4S2/c1-13-8(9)11-2-3-14-5-7-4-10-6-12-7/h4,6H,2-3,5H2,1H3,(H2,9,11)(H,10,12)