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

Systemtic Name: methyl N,N'-bis[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1,3-bis[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea CAS Name: N,N'-bis[2-(1H-imidazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1,3-bis[2-(1H-imidazol-5-ylmethylthio)ethyl]-2-methyl-isothiourea Formula: C14H22N6S3 MolecularWeight: 370.55968

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CN=CN1)NCCSCC2=CN=CN2

Isomeric SMILES

CSC(=NCCSCC1=CN=CN1)NCCSCC2=CN=CN2

InChI

InChI=1S/C14H22N6S3/c1-21-14(17-2-4-22-8-12-6-15-10-19-12)18-3-5-23-9-13-7-16-11-20-13/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,19)(H,16,20)(H,17,18)