methyl N'-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N'-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 3-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N'-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 3-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]-2-methyl-isothiourea Formula: C8H13BrN4S2 MolecularWeight: 309.24962

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(N=CN1)Br)N

Isomeric SMILES

CSC(=NCCSCC1=C(N=CN1)Br)N

InChI

InChI=1S/C8H13BrN4S2/c1-14-8(10)11-2-3-15-4-6-7(9)13-5-12-6/h5H,2-4H2,1H3,(H2,10,11)(H,12,13)