6-[3-phenyl-2-(phenylmethylsulfanyl)benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-phenyl-2-(phenylmethylsulfanyl)benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-(2-benzylsulfanyl-3-phenyl-benzimidazol-5-yl)oxyhexanoic acid CAS Name: 6-[[3-phenyl-2-(phenylmethylthio)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-(2-benzylsulfanyl-3-phenylbenzimidazol-5-yl)oxyhexanoic acid Traditional Name: 6-[2-(benzylthio)-3-phenyl-benzimidazol-5-yl]oxyhexanoic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(N2C4=CC=CC=C4)C=C(C=C3)OCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(N2C4=CC=CC=C4)C=C(C=C3)OCCCCCC(=O)O

InChI

InChI=1S/C26H26N2O3S/c29-25(30)14-8-3-9-17-31-22-15-16-23-24(18-22)28(21-12-6-2-7-13-21)26(27-23)32-19-20-10-4-1-5-11-20/h1-2,4-7,10-13,15-16,18H,3,8-9,14,17,19H2,(H,29,30)