2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=C(C=CC(=C3)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=C(C=CC(=C3)C(C)(C)C)C

InChI

InChI=1S/C27H30N2O5S/c1-6-33-22-9-11-23(12-10-22)34-24-15-20(14-21(16-24)29(31)32)28-26(30)17-35-25-13-19(27(3,4)5)8-7-18(25)2/h7-16H,6,17H2,1-5H3,(H,28,30)