4-[1-[(1,5-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(1,5-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(1,5-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(1,5-dimethyl-3-indolyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(1,5-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(1,5-dimethylindol-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O)C

InChI

InChI=1S/C22H23N3O2S/c1-15-9-10-19-17(12-15)16(13-24(19)2)14-25-20-7-4-3-6-18(20)23-22(25)28-11-5-8-21(26)27/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,26,27)