N-[(5-methylthiophen-2-yl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(5-methyl-2-thienyl)methyleneamino]acetamide CAS Name: N-[(5-methyl-2-thiophenyl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(5-methyl-2-thienyl)methyleneamino]acetamide Formula: C22H21N4OS2+ MolecularWeight: 421.55834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS2/c1-16-11-12-18(29-16)13-23-25-21(27)15-28-22-24-19-9-5-6-10-20(19)26(22)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,27)/p+1