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

Systemtic Name: tert-butyl [2-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-(carbamothioylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[(2-butyl-6-thioureido-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C30H34N4O3S MolecularWeight: 530.68096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NC(=S)N

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NC(=S)N

InChI

InChI=1S/C30H34N4O3S/c1-5-6-15-26-33-24-17-16-22(32-28(31)38)18-25(24)34(26)19-21-13-10-14-23(20-11-8-7-9-12-20)27(21)36-29(35)37-30(2,3)4/h7-14,16-18H,5-6,15,19H2,1-4H3,(H3,31,32,38)