1-tert-butyl-3-[1-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea

Systemtic Name: 1-tert-butyl-3-[1-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[1-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[1-ethyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[1-ethyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[1-ethyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]urea Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N5O4S/c1-6-26-18-9-7-15(23-20(28)25-22(2,3)4)12-17(18)24-21(26)32-13-14-11-16(27(29)30)8-10-19(14)31-5/h7-12H,6,13H2,1-5H3,(H2,23,25,28)