2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate

Systemtic Name: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate Openeye Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]isothiourea CAS Name: N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioic acid 2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl ester IUPAC Name: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate Traditional Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isothiourea Formula: C14H22N6S2 MolecularWeight: 338.49468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCSC(=NCCCC2=CN=CN2)N

Isomeric SMILES

CC1=C(N=CN1)CSCCSC(=NCCCC2=CN=CN2)N

InChI

InChI=1S/C14H22N6S2/c1-11-13(20-10-18-11)8-21-5-6-22-14(15)17-4-2-3-12-7-16-9-19-12/h7,9-10H,2-6,8H2,1H3,(H2,15,17)(H,16,19)(H,18,20)