N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2-phenoxy-ethanamide Openeye Name: N-[4-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]-2-phenoxy-acetamide CAS Name: N-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]phenyl]-2-phenoxyacetamide IUPAC Name: N-[4-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]-2-phenoxy-acetamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5S/c1-16-13-18(26(29)30)9-12-21(16)25-23(28)15-32-20-10-7-17(8-11-20)24-22(27)14-31-19-5-3-2-4-6-19/h2-13H,14-15H2,1H3,(H,24,27)(H,25,28)