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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

InChI

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