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

Systemtic Name: 1-cyclopropyl-3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]urea Openeye Name: 1-cyclopropyl-3-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea CAS Name: 1-cyclopropyl-3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]urea IUPAC Name: 1-cyclopropyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]urea Traditional Name: 1-cyclopropyl-3-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]urea Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)NC(=O)NC3CC3)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)NC(=O)NC3CC3)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N5O4S/c1-13(2)26-19-8-6-16(24-21(28)23-15-4-5-15)11-18(19)25-22(26)32-12-14-10-17(27(29)30)7-9-20(14)31-3/h6-11,13,15H,4-5,12H2,1-3H3,(H2,23,24,28)