N-(4-methyl-2-nitro-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-(4-methyl-2-nitrophenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-13-5-6-18(19(8-13)24(26)27)23-22(25)21-10-17(12-29-21)11-28-20-9-14(2)7-15(3)16(20)4/h5-10,12H,11H2,1-4H3,(H,23,25)