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

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenethyl-benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenethyl-benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-phenethyl-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-phenethylbenzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-benzyl)thio]-1-phenethyl-benzimidazol-5-yl]urea Formula: C28H31N5O4S MolecularWeight: 533.64184

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O4S/c1-28(2,3)31-26(34)29-21-10-12-24-23(17-21)30-27(32(24)15-14-19-8-6-5-7-9-19)38-18-20-16-22(33(35)36)11-13-25(20)37-4/h5-13,16-17H,14-15,18H2,1-4H3,(H2,29,31,34)