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

Systemtic Name: N-[4-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-keto-1-phenyl-2-(p-phenetidino)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C29H25N3O5S MolecularWeight: 527.5909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O5S/c1-2-37-25-16-10-22(11-17-25)31-29(34)27(20-6-4-3-5-7-20)38-26-18-12-23(13-19-26)30-28(33)21-8-14-24(15-9-21)32(35)36/h3-19,27H,2H2,1H3,(H,30,33)(H,31,34)