1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)benzimidazol-5-yl]urea

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-(4-pyridylmethyl)benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-(pyridin-4-ylmethyl)-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)benzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-benzyl)thio]-1-(4-pyridylmethyl)benzimidazol-5-yl]urea Formula: C26H28N6O4S MolecularWeight: 520.60332

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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)CC4=CC=NC=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)CC4=CC=NC=C4

InChI

InChI=1S/C26H28N6O4S/c1-26(2,3)30-24(33)28-19-5-7-22-21(14-19)29-25(31(22)15-17-9-11-27-12-10-17)37-16-18-13-20(32(34)35)6-8-23(18)36-4/h5-14H,15-16H2,1-4H3,(H2,28,30,33)