methyl N'-(4-chlorophenyl)-N-(1,3-dimethylbenzimidazol-2-ylidene)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(4-chlorophenyl)-N-(1,3-dimethylbenzimidazol-2-ylidene)carbamimidothioate hydroiodide Openeye Name: 3-(4-chlorophenyl)-1-(1,3-dimethylbenzimidazol-2-ylidene)-2-methyl-isothiourea hydroiodide CAS Name: N'-(4-chlorophenyl)-N-(1,3-dimethyl-2-benzimidazolylidene)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(4-chlorophenyl)-N-(1,3-dimethylbenzimidazol-2-ylidene)carbamimidothioate hydroiodide Traditional Name: 3-(4-chlorophenyl)-1-(1,3-dimethylbenzimidazol-2-ylidene)-2-methyl-isothiourea hydroiodide Formula: C17H18ClIN4S MolecularWeight: 472.77409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=NC(=NC3=CC=C(C=C3)Cl)SC)C.I

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=NC(=NC3=CC=C(C=C3)Cl)SC)C.I

InChI

InChI=1S/C17H17ClN4S.HI/c1-21-14-6-4-5-7-15(14)22(2)17(21)20-16(23-3)19-13-10-8-12(18)9-11-13;/h4-11H,1-3H3;1H