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

Systemtic Name: methyl N,N'-bis[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1,3-bis[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N,N'-bis[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1,3-bis[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]-2-methyl-isothiourea Formula: C14H20Br2N6S3 MolecularWeight: 528.3518

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(N=CN1)Br)NCCSCC2=C(N=CN2)Br

Isomeric SMILES

CSC(=NCCSCC1=C(N=CN1)Br)NCCSCC2=C(N=CN2)Br

InChI

InChI=1S/C14H20Br2N6S3/c1-23-14(17-2-4-24-6-10-12(15)21-8-19-10)18-3-5-25-7-11-13(16)22-9-20-11/h8-9H,2-7H2,1H3,(H,17,18)(H,19,21)(H,20,22)