null
  CDK     0225161909
null
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    3.7080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    3.8795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    2.5519    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6985    3.0788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0341    2.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    1.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8546    2.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4066    2.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1603    2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0741    1.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2671    1.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6871    1.1439    0.0000 Br  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 
  2  4  1  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  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 16  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 28 24  1  0  0  0  0 
 27 29  1  0  0  0  0 
M  END
> <ID>
CHEBI:121249

> <NAME>
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide

> <STAR>
2

> <FORMULA>
C17H14BrN5O4S2

> <MASS>
496.361

> <MONOISOTOPIC_MASS>
494.96706

> <CHARGE>
0

> <SMILES>
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)Br

> <INCHI>
InChI=1S/C17H14BrN5O4S2/c1-9(24)19-10-2-4-11(5-3-10)20-14(25)8-28-17-23-22-16(29-17)21-15(26)12-6-7-13(18)27-12/h2-7H,8H2,1H3,(H,19,24)(H,20,25)(H,21,22,26)

> <INCHIKEY>
JGTZKOADSIAIBS-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-32692

$$$$