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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]isothiourea CAS Name: N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[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)CSCCN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(N)SCCCC2=CN=CN2

InChI

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