56443013
  -OEChem-05042421542D

 43 45  0     0  0  0  0  0  0999 V2000
    6.8804    1.5526    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    1.2765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9991    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -0.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -5.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -0.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4733   -3.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    4.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5714    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    4.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4733   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0069    4.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358    3.0052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6083   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6083   -0.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053   -4.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    5.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6083   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4436    5.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9363   -3.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    2.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972   -4.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703   -5.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -5.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 19  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6 26  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  2  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 19  2  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  2  0  0  0  0
 14 16  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 24  2  0  0  0  0
 20 32  1  0  0  0  0
 21 25  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56443013

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
555

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwQQAAAADAyF3hKz15LIFAisAyVydACC+KllKjkJiDU2bNiMJrLkvZuEMShu1RPI6aecyKCOAAAAQAAIAAAAAACAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-acetamido-N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-acetamido-N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-acetamido-<I>N</I>-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
3-acetamido-N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-acetamido-N-[4-[2-[bis(fluoranyl)methoxy]phenyl]-1,3-thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-acetamido-N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15F2N3O3S/c1-11(25)22-13-6-4-5-12(9-13)17(26)24-19-23-15(10-28-19)14-7-2-3-8-16(14)27-18(20)21/h2-10,18H,1H3,(H,22,25)(H,23,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
UBAKVYQWQSUCTE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
403.08021885

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15F2N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
403.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.08021885

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  17  8
1  19  8
10  13  8
10  15  8
11  19  8
12  16  8
12  20  8
13  21  8
14  16  8
14  22  8
15  23  8
20  24  8
21  25  8
22  24  8
23  25  8
8  11  8
8  17  8

$$$$