N-(furan-2-ylmethylideneamino)-2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(furan-2-ylmethylideneamino)-2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-furylmethyleneamino)-2-[[3-(p-tolylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(2-furanylmethylideneamino)-2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-(furan-2-ylmethylideneamino)-2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(2-furfurylideneamino)-2-[[3-(4-methylbenzyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide Formula: C22H21N4O2S+ MolecularWeight: 405.49274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=CO4

InChI

InChI=1S/C22H20N4O2S/c1-16-8-10-17(11-9-16)14-26-20-7-3-2-6-19(20)24-22(26)29-15-21(27)25-23-13-18-5-4-12-28-18/h2-13H,14-15H2,1H3,(H,25,27)/p+1