3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-cyclohexyl-carbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-cyclohexyl-carbamimidothioate Openeye Name: 3-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[(4-chlorophenyl)methyl]-N-cyclohexylcarbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-cyclohexylcarbamimidothioate Traditional Name: 3-(4-chlorobenzyl)-1-cyclohexyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C20H27ClN4S MolecularWeight: 390.97318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NCC2=CC=C(C=C2)Cl)SCCCC3=CN=CN3

Isomeric SMILES

C1CCC(CC1)NC(=NCC2=CC=C(C=C2)Cl)SCCCC3=CN=CN3

InChI

InChI=1S/C20H27ClN4S/c21-17-10-8-16(9-11-17)13-23-20(25-18-5-2-1-3-6-18)26-12-4-7-19-14-22-15-24-19/h8-11,14-15,18H,1-7,12-13H2,(H,22,24)(H,23,25)