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

Systemtic Name: 1-tert-butyl-3-[1-cyclopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[1-cyclopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[1-cyclopropyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[1-cyclopropyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[1-cyclopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]urea Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4CC4

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4CC4

InChI

InChI=1S/C23H27N5O4S/c1-23(2,3)26-21(29)24-15-5-9-19-18(12-15)25-22(27(19)16-6-7-16)33-13-14-11-17(28(30)31)8-10-20(14)32-4/h5,8-12,16H,6-7,13H2,1-4H3,(H2,24,26,29)