N-[3-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(3-methoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(3-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-keto-2-(m-anisidino)-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C28H23N3O5S MolecularWeight: 513.56432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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