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

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenyl-benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenyl-benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-phenyl-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-phenylbenzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-benzyl)thio]-1-phenyl-benzimidazol-5-yl]urea Formula: C26H27N5O4S MolecularWeight: 505.58868

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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)C4=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)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4S/c1-26(2,3)29-24(32)27-18-10-12-22-21(15-18)28-25(30(22)19-8-6-5-7-9-19)36-16-17-14-20(31(33)34)11-13-23(17)35-4/h5-15H,16H2,1-4H3,(H2,27,29,32)