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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N6S3/c1-21-14(19-6-8-22-10-12-15-2-3-16-12)20-7-9-23-11-13-17-4-5-18-13/h2-5H,6-11H2,1H3,(H,15,16)(H,17,18)(H,19,20)