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

Systemtic Name: methyl N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 2-methyl-1,3-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]isothiourea CAS Name: N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 2-methyl-1,3-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isothiourea Formula: C16H26N6S3 MolecularWeight: 398.61284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NCCSCC2=C(NC=N2)C)SC

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NCCSCC2=C(NC=N2)C)SC

InChI

InChI=1S/C16H26N6S3/c1-12-14(21-10-19-12)8-24-6-4-17-16(23-3)18-5-7-25-9-15-13(2)20-11-22-15/h10-11H,4-9H2,1-3H3,(H,17,18)(H,19,21)(H,20,22)