2-[[5,6-dimethyl-1-(phenylcarbonyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[5,6-dimethyl-1-(phenylcarbonyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[(1-benzoyl-5,6-dimethyl-benzimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(1-benzoyl-5,6-dimethyl-2-benzimidazolyl)thio]methyl]benzoic acid IUPAC Name: 2-[(1-benzoyl-5,6-dimethylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(1-benzoyl-5,6-dimethyl-benzimidazol-2-yl)thio]methyl]benzoic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCC3=CC=CC=C3C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCC3=CC=CC=C3C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-15-12-20-21(13-16(15)2)26(22(27)17-8-4-3-5-9-17)24(25-20)30-14-18-10-6-7-11-19(18)23(28)29/h3-13H,14H2,1-2H3,(H,28,29)