3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-nitro-phenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-nitro-phenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-nitro-phenyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(2-methoxy-5-nitrophenyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-nitrophenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(2-methoxy-5-nitro-phenyl)coumarilamide Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C23H24N2O5S/c1-29-21-12-11-15(25(27)28)13-19(21)24-23(26)22-18(14-31-16-7-3-2-4-8-16)17-9-5-6-10-20(17)30-22/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,26)