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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C2=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/c1-6-11-27-19-9-7-16(24-21(29)26-23(2,3)4)13-18(19)25-22(27)33-14-15-12-17(28(30)31)8-10-20(15)32-5/h7-10,12-13H,6,11,14H2,1-5H3,(H2,24,26,29)