2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(1-isopentylbenzimidazol-2-yl)methyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(1-isoamylbenzimidazol-2-yl)methyl]benzimidazol-2-yl]thio]acetate Formula: C22H23N4O2S- MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=C3SCC(=O)[O-]

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=C3SCC(=O)[O-]

InChI

InChI=1S/C22H24N4O2S/c1-15(2)11-12-25-18-9-5-3-7-16(18)23-20(25)13-26-19-10-6-4-8-17(19)24-22(26)29-14-21(27)28/h3-10,15H,11-14H2,1-2H3,(H,27,28)/p-1