tert-butyl [5-[(2-butylsulfanylbenzimidazol-1-yl)methyl]-2-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [5-[(2-butylsulfanylbenzimidazol-1-yl)methyl]-2-phenyl-phenyl] carbonate Openeye Name: tert-butyl [5-[(2-butylsulfanylbenzimidazol-1-yl)methyl]-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [5-[[2-(butylthio)-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [5-[(2-butylsulfanylbenzimidazol-1-yl)methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [5-[[2-(butylthio)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=CC=CC=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C

Isomeric SMILES

CCCCSC1=NC2=CC=CC=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N2O3S/c1-5-6-18-35-27-30-24-14-10-11-15-25(24)31(27)20-21-16-17-23(22-12-8-7-9-13-22)26(19-21)33-28(32)34-29(2,3)4/h7-17,19H,5-6,18,20H2,1-4H3