56443238
  -OEChem-05142410162D

 47 49  0     1  0  0  0  0  0999 V2000
    2.9230    2.0526    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6224    1.7765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8034    3.4991    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2211    2.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0352    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    3.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    4.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    4.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    5.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954    5.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2156    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.9526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -5.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -3.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    4.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    3.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0188    4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7487    6.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    5.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9634    3.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 21  1  0  0  0  0
  4 28  1  0  0  0  0
  5 20  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 22  1  0  0  0  0
  7 41  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56443238

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
506

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwQQAAAADAzF3haz15PIFAisAyVydACC+KllKjkJiDU+bNiMJrLkvZuEMShuwRPI6aeYyaCeCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]-4-[ethyl(methyl)amino]benzamide

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19F2N3O2S/c1-3-25(2)14-10-8-13(9-11-14)18(26)24-20-23-16(12-28-20)15-6-4-5-7-17(15)27-19(21)22/h4-12,19H,3H2,1-2H3,(H,23,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
CSOSOOPERWKWBF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
403.11660436

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19F2N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
403.4

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

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

> <PUBCHEM_CACTVS_TPSA>
82.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.11660436

> <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  22  8
1  24  8
11  15  8
11  16  8
12  15  8
13  16  8
18  21  8
18  23  8
19  24  8
21  25  8
23  26  8
25  27  8
26  27  8
8  19  8
8  22  8
9  12  8
9  13  8

$$$$