N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-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-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C24H21N4O2S2+ MolecularWeight: 461.57914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4O2S2/c1-30-17-11-12-19-21(13-17)32-23(25-19)27-22(29)15-31-24-26-18-9-5-6-10-20(18)28(24)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,27,29)/p+1