4-[1-[(1,4-dimethylindol-3-yl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(1,4-dimethyl-3-indolyl)methyl]-5,6-dimethyl-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]-5,6-dimethylbenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(1,4-dimethylindol-3-yl)methyl]-5,6-dimethyl-benzimidazol-2-yl]thio]butyric acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2CN3C4=C(C=C(C(=C4)C)C)N=C3SCCCC(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CN3C4=C(C=C(C(=C4)C)C)N=C3SCCCC(=O)O)C

InChI

InChI=1S/C24H27N3O2S/c1-15-7-5-8-20-23(15)18(13-26(20)4)14-27-21-12-17(3)16(2)11-19(21)25-24(27)30-10-6-9-22(28)29/h5,7-8,11-13H,6,9-10,14H2,1-4H3,(H,28,29)