1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propyl-7-pyrrolidin-1-ylcarbonyl-benzimidazol-5-yl]urea

Systemtic Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propyl-7-pyrrolidin-1-ylcarbonyl-benzimidazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propyl-7-(pyrrolidine-1-carbonyl)benzimidazol-5-yl]urea CAS Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-1-propyl-5-benzimidazolyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propyl-7-(pyrrolidine-1-carbonyl)benzimidazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[2-[(2-methoxy-5-nitro-benzyl)thio]-1-propyl-7-(pyrrolidine-1-carbonyl)benzimidazol-5-yl]urea Formula: C28H36N6O5S MolecularWeight: 568.68764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2C(=O)N3CCCC3)NC(=O)NC(C)(C)C)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2C(=O)N3CCCC3)NC(=O)NC(C)(C)C)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H36N6O5S/c1-6-11-33-24-21(25(35)32-12-7-8-13-32)15-19(29-26(36)31-28(2,3)4)16-22(24)30-27(33)40-17-18-14-20(34(37)38)9-10-23(18)39-5/h9-10,14-16H,6-8,11-13,17H2,1-5H3,(H2,29,31,36)