2-(2-decylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid

Systemtic Name: 2-(2-decylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid Openeye Name: 2-(2-decylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[[2-(decylthio)-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-(2-decylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(decylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C25H30N2O3S MolecularWeight: 438.5823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H30N2O3S/c1-2-3-4-5-6-7-8-13-18-31-25-26-21-16-11-12-17-22(21)27(25)23(28)19-14-9-10-15-20(19)24(29)30/h9-12,14-17H,2-8,13,18H2,1H3,(H,29,30)