methyl N,N'-bis[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N,N'-bis[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 2-methyl-1,3-bis[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]isothiourea CAS Name: N,N'-bis[2-[(1-methyl-2-imidazolyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 2-methyl-1,3-bis[2-[(1-methylimidazol-2-yl)methylthio]ethyl]isothiourea Formula: C16H26N6S3 MolecularWeight: 398.61284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CSCCNC(=NCCSCC2=NC=CN2C)SC

Isomeric SMILES

CN1C=CN=C1CSCCNC(=NCCSCC2=NC=CN2C)SC

InChI

InChI=1S/C16H26N6S3/c1-21-8-4-17-14(21)12-24-10-6-19-16(23-3)20-7-11-25-13-15-18-5-9-22(15)2/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,19,20)