N-(4-methyl-1,3-thiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: N-(4-methyl-2-thiazolyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-methylthiazol-2-yl)acetamide Formula: C20H19N4OS2+ MolecularWeight: 395.52106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS2/c1-14-12-26-19(21-14)23-18(25)13-27-20-22-16-9-5-6-10-17(16)24(20)11-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,21,23,25)/p+1