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

Systemtic Name: 1-tert-butyl-3-[1-(2-methoxyethyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[1-(2-methoxyethyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[1-(2-methoxyethyl)-2-[(2-methoxy-5-nitrophenyl)methylthio]-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[1-(2-methoxyethyl)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[1-(2-methoxyethyl)-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]urea Formula: C23H29N5O5S MolecularWeight: 487.57186

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O5S/c1-23(2,3)26-21(29)24-16-6-8-19-18(13-16)25-22(27(19)10-11-32-4)34-14-15-12-17(28(30)31)7-9-20(15)33-5/h6-9,12-13H,10-11,14H2,1-5H3,(H2,24,26,29)