3-(1H-imidazol-5-yl)propyl N'-(cyclohexylmethyl)carbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-(cyclohexylmethyl)carbamimidothioate Openeye Name: 3-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-(cyclohexylmethyl)carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-(cyclohexylmethyl)carbamimidothioate Traditional Name: 3-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C14H24N4S MolecularWeight: 280.43216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

C1CCC(CC1)CN=C(N)SCCCC2=CN=CN2

InChI

InChI=1S/C14H24N4S/c15-14(17-9-12-5-2-1-3-6-12)19-8-4-7-13-10-16-11-18-13/h10-12H,1-9H2,(H2,15,17)(H,16,18)