2-[4-[[2-methylsulfanyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-methylsulfanyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-methylsulfanyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-(methylthio)-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-methylsulfanyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-(methylthio)-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)N5CCCC5

InChI

InChI=1S/C27H26N4O3S/c1-35-27-29-23-13-12-20(28-26(34)30-14-4-5-15-30)16-24(23)31(27)17-18-8-10-19(11-9-18)21-6-2-3-7-22(21)25(32)33/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,28,34)(H,32,33)