tert-butyl [2-phenyl-6-[(2-propylsulfanylbenzimidazol-1-yl)methyl]phenyl] carbonate

Systemtic Name: tert-butyl [2-phenyl-6-[(2-propylsulfanylbenzimidazol-1-yl)methyl]phenyl] carbonate Openeye Name: tert-butyl [2-phenyl-6-[(2-propylsulfanylbenzimidazol-1-yl)methyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-phenyl-6-[[2-(propylthio)-1-benzimidazolyl]methyl]phenyl] ester IUPAC Name: tert-butyl [2-phenyl-6-[(2-propylsulfanylbenzimidazol-1-yl)methyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-phenyl-6-[[2-(propylthio)benzimidazol-1-yl]methyl]phenyl] ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3S/c1-5-18-34-26-29-23-16-9-10-17-24(23)30(26)19-21-14-11-15-22(20-12-7-6-8-13-20)25(21)32-27(31)33-28(2,3)4/h6-17H,5,18-19H2,1-4H3