tert-butyl N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]carbamate Openeye Name: tert-butyl N-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]carbamate CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]carbamate Traditional Name: N-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]carbamic acid tert-butyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H28N4O5S/c1-14(2)26-19-9-7-16(24-22(28)32-23(3,4)5)12-18(19)25-21(26)33-13-15-11-17(27(29)30)8-10-20(15)31-6/h7-12,14H,13H2,1-6H3,(H,24,28)