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

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-pentyl-benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-pentyl-benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-pentyl-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-pentylbenzimidazol-5-yl]urea Traditional Name: 1-[1-amyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]-3-tert-butyl-urea Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C25H33N5O4S/c1-6-7-8-13-29-21-11-9-18(26-23(31)28-25(2,3)4)15-20(21)27-24(29)35-16-17-14-19(30(32)33)10-12-22(17)34-5/h9-12,14-15H,6-8,13,16H2,1-5H3,(H2,26,28,31)