4-[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5,6-dimethyl-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5,6-dimethyl-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5,6-dimethyl-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C24H24N2O2S MolecularWeight: 404.52456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCCCC(=O)O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCCCC(=O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H24N2O2S/c1-16-13-21-22(14-17(16)2)26(24(25-21)29-12-6-11-23(27)28)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,27,28)