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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CCN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CCN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

InChI=1S/C22H23N3O2S/c1-24-15-16(17-7-2-4-9-19(17)24)12-13-25-20-10-5-3-8-18(20)23-22(25)28-14-6-11-21(26)27/h2-5,7-10,15H,6,11-14H2,1H3,(H,26,27)