-ISIS-  04261722012D

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  2  3  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
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  2  4  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <ID> (STL503786)
STL503786

>  <Rotatable_Bonds> (STL503786)
2

>  <logP> (STL503786)
3.42

>  <PSA> (STL503786)
83.84

>  <H_Donors> (STL503786)
2

>  <H_Acceptors> (STL503786)
3

>  <Number_of_rings> (STL503786)
2

>  <Compound_Names> (STL503786)
1-(2,4-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea

>  <Mol_Weight> (STL503786)
346.45

>  <Mol_Formula> (STL503786)
C18H22N2O3S

>  <Smiles> (STL503786)
COc1cc(NC(=S)Nc2ccc(cc2C)C)cc(c1OC)OC

$$$$