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

Systemtic Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(1,4-dimethyl-3-indolyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(1,4-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=C2C(=CC=C1)N(C=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O)C

InChI

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