2-(1H-imidazol-5-yl)ethyl N'-[2-(phenylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl N'-[2-(phenylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 3-(2-benzylsulfanylethyl)-2-[2-(1H-imidazol-5-yl)ethyl]isothiourea CAS Name: N'-[2-(phenylmethylthio)ethyl]carbamimidothioic acid 2-(1H-imidazol-5-yl)ethyl ester IUPAC Name: 2-(1H-imidazol-5-yl)ethyl N'-(2-benzylsulfanylethyl)carbamimidothioate Traditional Name: 3-[2-(benzylthio)ethyl]-2-[2-(1H-imidazol-5-yl)ethyl]isothiourea Formula: C15H20N4S2 MolecularWeight: 320.4761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN=C(N)SCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)CSCCN=C(N)SCCC2=CN=CN2

InChI

InChI=1S/C15H20N4S2/c16-15(21-8-6-14-10-17-12-19-14)18-7-9-20-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H2,16,18)(H,17,19)