2,6-dimethoxy-N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide Openeye Name: 2,6-dimethoxy-N-[3-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 2,6-dimethoxy-N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[3-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-2,6-dimethoxy-benzamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C25H25N3O6S/c1-15-11-12-18(28(31)32)14-20(15)27-24(29)16(2)35-19-8-5-7-17(13-19)26-25(30)23-21(33-3)9-6-10-22(23)34-4/h5-14,16H,1-4H3,(H,26,30)(H,27,29)