2-(1H-imidazol-5-yl)ethyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[2-(1H-imidazol-5-yl)ethyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid 2-(1H-imidazol-5-yl)ethyl ester IUPAC Name: 2-(1H-imidazol-5-yl)ethyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[2-(1H-imidazol-5-yl)ethyl]isothiourea Formula: C13H16N4S MolecularWeight: 260.35794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4S/c14-13(16-8-11-4-2-1-3-5-11)18-7-6-12-9-15-10-17-12/h1-5,9-10H,6-8H2,(H2,14,16)(H,15,17)