-ISIS-  08091621332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.0208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.0583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8958   -1.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.3083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4458    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    0.6875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -0.4042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  8  3  1  0  0  0  0
 10  6  2  0  0  0  0
  9 11  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <ID> (BBL000703)
BBL000703

>  <Rotatable_Bonds> (BBL000703)
0

>  <logP> (BBL000703)
3.072

>  <PSA> (BBL000703)
77.98

>  <H_Donors> (BBL000703)
0

>  <H_Acceptors> (BBL000703)
2

>  <Number_of_rings> (BBL000703)
4

>  <NAME> (BBL000703)
3,3-dibromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione

>  <Mol_Weight> (BBL000703)
446.16

>  <Mol_Formula> (BBL000703)
C15H14Br2N2O2S

>  <Smiles> (BBL000703)
O=c1n2CCCCCc2nc2c1c1CCC(C(=O)c1s2)(Br)Br

>  <Alternative_identifier> (BBL000703)
MFCD00406493

$$$$