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

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]-2-methyl-propanamide Openeye Name: N-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]-2-methyl-propanamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]-2-methylpropanamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]-2-methylpropanamide Traditional Name: N-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]-2-methyl-propionamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(C)C

InChI

InChI=1S/C22H26N4O4S/c1-13(2)21(27)23-16-6-8-19-18(11-16)24-22(25(19)14(3)4)31-12-15-10-17(26(28)29)7-9-20(15)30-5/h6-11,13-14H,12H2,1-5H3,(H,23,27)