2-[tert-butyl-(3-methylsulfanylphenoxy)phosphoryl]oxy-N-(4-butylpyridin-3-yl)ethanamide

Systemtic Name: 2-[tert-butyl-(3-methylsulfanylphenoxy)phosphoryl]oxy-N-(4-butylpyridin-3-yl)ethanamide Openeye Name: 2-[tert-butyl-(3-methylsulfanylphenoxy)phosphoryl]oxy-N-(4-butyl-3-pyridyl)acetamide CAS Name: 2-[tert-butyl-[3-(methylthio)phenoxy]phosphoryl]oxy-N-(4-butyl-3-pyridinyl)acetamide IUPAC Name: 2-[tert-butyl-(3-methylsulfanylphenoxy)phosphoryl]oxy-N-(4-butylpyridin-3-yl)acetamide Traditional Name: 2-[tert-butyl-[3-(methylthio)phenoxy]phosphoryl]oxy-N-(4-butyl-3-pyridyl)acetamide Formula: C22H31N2O4PS MolecularWeight: 450.531301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=NC=C1)NC(=O)COP(=O)(C(C)(C)C)OC2=CC(=CC=C2)SC

Isomeric SMILES

CCCCC1=C(C=NC=C1)NC(=O)COP(=O)(C(C)(C)C)OC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H31N2O4PS/c1-6-7-9-17-12-13-23-15-20(17)24-21(25)16-27-29(26,22(2,3)4)28-18-10-8-11-19(14-18)30-5/h8,10-15H,6-7,9,16H2,1-5H3,(H,24,25)