4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide

Systemtic Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-nitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-nitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CS2)COC3=C(C=CC=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CS2)COC3=C(C=CC=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S/c1-13-7-8-17(18(9-13)23(25)26)22-21(24)19-10-16(12-28-19)11-27-20-14(2)5-4-6-15(20)3/h4-10,12H,11H2,1-3H3,(H,22,24)