methyl N,N'-bis[3-(1H-imidazol-5-ylmethylsulfanyl)propyl]carbamimidothioate

Systemtic Name: methyl N,N'-bis[3-(1H-imidazol-5-ylmethylsulfanyl)propyl]carbamimidothioate Openeye Name: 1,3-bis[3-(1H-imidazol-5-ylmethylsulfanyl)propyl]-2-methyl-isothiourea CAS Name: N,N'-bis[3-(1H-imidazol-5-ylmethylthio)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[3-(1H-imidazol-5-ylmethylsulfanyl)propyl]carbamimidothioate Traditional Name: 1,3-bis[3-(1H-imidazol-5-ylmethylthio)propyl]-2-methyl-isothiourea Formula: C16H26N6S3 MolecularWeight: 398.61284

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCSCC1=CN=CN1)NCCCSCC2=CN=CN2

Isomeric SMILES

CSC(=NCCCSCC1=CN=CN1)NCCCSCC2=CN=CN2

InChI

InChI=1S/C16H26N6S3/c1-23-16(19-4-2-6-24-10-14-8-17-12-21-14)20-5-3-7-25-11-15-9-18-13-22-15/h8-9,12-13H,2-7,10-11H2,1H3,(H,17,21)(H,18,22)(H,19,20)