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

Systemtic Name: 4-[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(1-methyl-3-indolyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

InChI=1S/C21H21N3O2S/c1-23-13-15(16-7-2-4-9-18(16)23)14-24-19-10-5-3-8-17(19)22-21(24)27-12-6-11-20(25)26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,25,26)