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

Systemtic Name: 4-[5,6-dimethyl-1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5,6-dimethyl-1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5,6-dimethyl-1-[(1-methyl-3-indolyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5,6-dimethyl-1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5,6-dimethyl-1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCCCC(=O)O)CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCCCC(=O)O)CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C23H25N3O2S/c1-15-11-19-21(12-16(15)2)26(23(24-19)29-10-6-9-22(27)28)14-17-13-25(3)20-8-5-4-7-18(17)20/h4-5,7-8,11-13H,6,9-10,14H2,1-3H3,(H,27,28)