4-[5,6-dimethyl-1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5,6-dimethyl-1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5,6-dimethyl-1-[(8-methyl-1-naphthyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5,6-dimethyl-1-[(8-methyl-1-naphthalenyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5,6-dimethyl-1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5,6-dimethyl-1-[(8-methyl-1-naphthyl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=CC=C2)CN3C4=C(C=C(C(=C4)C)C)N=C3SCCCC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1C(=CC=C2)CN3C4=C(C=C(C(=C4)C)C)N=C3SCCCC(=O)O

InChI

InChI=1S/C25H26N2O2S/c1-16-7-4-8-19-9-5-10-20(24(16)19)15-27-22-14-18(3)17(2)13-21(22)26-25(27)30-12-6-11-23(28)29/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3,(H,28,29)