null
  CDK     0225161901
null
 27 29  0  0  0  0  0  0  0  0999 V2000
    3.5146   -2.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502   -1.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.6657    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434   -1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -1.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4578   -0.5888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   -1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   -1.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8868   -0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6013   -1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3157   -0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6013   -1.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -1.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115   -1.4701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977   -0.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047   -0.4781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    2.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123    1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985    2.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
  3 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 14  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 20  1  0  0  0  0 
 22 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:117264

> <NAME>
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide

> <STAR>
2

> <FORMULA>
C19H22N4O2S2

> <MASS>
402.536

> <MONOISOTOPIC_MASS>
402.11842

> <CHARGE>
0

> <SMILES>
CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=CC(=CC=C3)OC

> <INCHI>
InChI=1S/C19H22N4O2S2/c1-11(2)8-16(24)23-19-20-12(3)17(27-19)15-10-26-18(22-15)21-13-6-5-7-14(9-13)25-4/h5-7,9-11H,8H2,1-4H3,(H,21,22)(H,20,23,24)

> <INCHIKEY>
HPRDWUINIZYOTM-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-28713

$$$$