4-nitro-N-[3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 4-nitro-N-[3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]sulfanylphenyl]benzamide Openeye Name: N-[3-[1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-[[1-oxo-1-(4-phenoxyanilino)propan-2-yl]thio]phenyl]benzamide IUPAC Name: 4-nitro-N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C28H23N3O5S MolecularWeight: 513.56432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H23N3O5S/c1-19(27(32)29-21-12-16-25(17-13-21)36-24-7-3-2-4-8-24)37-26-9-5-6-22(18-26)30-28(33)20-10-14-23(15-11-20)31(34)35/h2-19H,1H3,(H,29,32)(H,30,33)