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

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-(phenylmethyl)benzimidazol-5-yl]urea Openeye Name: 1-[1-benzyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]-3-tert-butyl-urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-(phenylmethyl)-5-benzimidazolyl]urea IUPAC Name: 1-[1-benzyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]-3-tert-butylurea Traditional Name: 1-[1-benzyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]-3-tert-butyl-urea Formula: C27H29N5O4S MolecularWeight: 519.61526

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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=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)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O4S/c1-27(2,3)30-25(33)28-20-10-12-23-22(15-20)29-26(31(23)16-18-8-6-5-7-9-18)37-17-19-14-21(32(34)35)11-13-24(19)36-4/h5-15H,16-17H2,1-4H3,(H2,28,30,33)