
 AC1LCZ0G

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.1705   -2.5484    4.8134 C   0  0  0  0  0
    2.6842   -2.2759    4.6726 C   0  0  0  0  0
    1.8348   -3.5345    4.4982 C   0  0  0  0  0
    1.6863   -2.7156    5.7447 C   0  0  0  0  0
    2.2785   -3.5033    7.3872 Br  0  0  0  0  0
   -0.0074   -1.8424    5.9725 Br  0  0  0  0  0
    2.3404   -1.1111    3.7857 C   0  0  0  0  0
    2.0062   -1.3257    2.6208 O   0  0  0  0  0
    2.4609    0.1825    4.2178 N   0  0  0  0  0
    2.7767    0.5904    5.4785 C   0  0  0  0  0
    3.0097   -0.1343    6.5373 N   0  0  0  0  0
    3.2299    0.6922    7.6236 C   0  0  0  0  0
    3.4709    0.2700    8.9464 C   0  0  0  0  0
    3.6813    1.2201    9.9503 C   0  0  0  0  0
    3.6627    2.5783    9.6500 C   0  0  0  0  0
    3.4240    3.0236    8.3452 C   0  0  0  0  0
    3.2017    2.0616    7.3475 C   0  0  0  0  0
    2.8544    2.2807    5.6718 S   0  0  0  0  0
    4.3868   -3.5004    5.3071 H   0  0  0  0  0
    4.6684   -1.7555    5.3775 H   0  0  0  0  0
    4.6316   -2.5911    3.8204 H   0  0  0  0  0
    2.3186   -4.5032    4.5635 H   0  0  0  0  0
    1.0410   -3.5178    3.7585 H   0  0  0  0  0
    2.2600    0.8945    3.5312 H   0  0  0  0  0
    3.4841   -0.7905    9.1773 H   0  0  0  0  0
    3.8601    0.8907   10.9711 H   0  0  0  0  0
    3.8313    3.3061   10.4417 H   0  0  0  0  0
    3.4048    4.0847    8.1157 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
M  END

>  <Chemical Name>
AC1LCZ0G

>  <PubChem CID>
609181

>  <Formula>
C12H10Br2N2OS

>  <Molecular Weight>
390.093000

>  <IUPAC Name>
N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CC1(Br)Br)C(=O)NC2=NC3=CC=CC=C3S2

>  <Isomeric SMILES>
CC1(CC1(Br)Br)C(=O)NC2=NC3=CC=CC=C3S2

>  <InChI Std. ID>
InChI=1S/C12H10Br2N2OS/c1-11(6-12(11,13)14)9(17)16-10-15-7-4-2-3-5-8(7)18-10/h2-5H,6H2,1H3,(H,15,16,17)

>  <InChI Key>
BQUFNWKWHJFATH-UHFFFAOYSA-N

