N-(4-ethanoylphenyl)-4-[3-(4-methylphenyl)sulfanyl-5-nitro-phenoxy]benzamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[3-(4-methylphenyl)sulfanyl-5-nitro-phenoxy]benzamide Openeye Name: N-(4-acetylphenyl)-4-[3-nitro-5-(p-tolylsulfanyl)phenoxy]benzamide CAS Name: N-(4-acetylphenyl)-4-[3-[(4-methylphenyl)thio]-5-nitrophenoxy]benzamide IUPAC Name: N-(4-acetylphenyl)-4-[3-(4-methylphenyl)sulfanyl-5-nitrophenoxy]benzamide Traditional Name: N-(4-acetylphenyl)-4-[3-nitro-5-(p-tolylthio)phenoxy]benzamide Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O5S/c1-18-3-13-26(14-4-18)36-27-16-23(30(33)34)15-25(17-27)35-24-11-7-21(8-12-24)28(32)29-22-9-5-20(6-10-22)19(2)31/h3-17H,1-2H3,(H,29,32)