N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]cyclobutanecarboxamide

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]cyclobutanecarboxamide Openeye Name: N-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]cyclobutanecarboxamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]cyclobutanecarboxamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]cyclobutanecarboxamide Traditional Name: N-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]cyclobutanecarboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)NC(=O)C3CCC3)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)NC(=O)C3CCC3)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H26N4O4S/c1-14(2)26-20-9-7-17(24-22(28)15-5-4-6-15)12-19(20)25-23(26)32-13-16-11-18(27(29)30)8-10-21(16)31-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,28)