null
  CDK     0224162328
null
 27 29  0  0  0  0  0  0  0  0999 V2000
   -8.3645    7.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5441    7.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0591    6.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2387    6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7537    5.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0893    5.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9098    5.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3947    5.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6044    4.4982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7839    4.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3714    5.2989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644    5.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782    4.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2319    3.9714    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637    3.8944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0492    4.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    3.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6203    4.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478    4.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    3.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    2.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    3.0739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040    5.2919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    5.5890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 10  1  0  0  0  0 
 13 15  1  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 
 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 20  1  0  0  0  0 
 21 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 25 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:104933

> <NAME>
2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide

> <STAR>
2

> <FORMULA>
C17H17N5O2S3

> <MASS>
419.548

> <MONOISOTOPIC_MASS>
419.05444

> <CHARGE>
0

> <SMILES>
CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=CS3)C(=O)N

> <INCHI>
InChI=1S/C17H17N5O2S3/c1-2-10-3-5-11(6-4-10)19-16-21-22-17(27-16)26-9-13(23)20-15-12(14(18)24)7-8-25-15/h3-8H,2,9H2,1H3,(H2,18,24)(H,19,21)(H,20,23)

> <INCHIKEY>
DHHGYSLGUFSAQY-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-16296

$$$$