tert-butyl 2-[4-[[2-methylsulfanyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-methylsulfanyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-methylsulfanyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-(methylthio)-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-methylsulfanyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-(methylthio)-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=C(C=CC(=C4)NC(=O)N5CCCC5)N=C3SC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=C(C=CC(=C4)NC(=O)N5CCCC5)N=C3SC

InChI

InChI=1S/C31H34N4O3S/c1-31(2,3)38-28(36)25-10-6-5-9-24(25)22-13-11-21(12-14-22)20-35-27-19-23(15-16-26(27)33-30(35)39-4)32-29(37)34-17-7-8-18-34/h5-6,9-16,19H,7-8,17-18,20H2,1-4H3,(H,32,37)