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

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]urea Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H29N5O4S/c1-14(2)27-19-9-7-16(24-21(29)26-23(3,4)5)12-18(19)25-22(27)33-13-15-11-17(28(30)31)8-10-20(15)32-6/h7-12,14H,13H2,1-6H3,(H2,24,26,29)