56442730
  -OEChem-05042415542D

 50 53  0     1  0  0  0  0  0999 V2000
    5.4791   -2.2266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848   -6.0228    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -6.7273    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    3.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021   -0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -5.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    3.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.6388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611   -2.2266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    6.2273    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4021    5.3612    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9021    6.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7682    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    4.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    2.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    2.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    2.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -0.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -3.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -3.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701   -3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -5.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -5.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903   -5.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    6.8261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    5.2008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    6.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195    6.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0782    6.1903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3051    7.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4582    7.2642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9992    4.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    2.6712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391    2.6712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    1.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391    1.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332   -0.3288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -3.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345   -3.6792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -6.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -6.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737   -5.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 27  1  0  0  0  0
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
  4 14  2  0  0  0  0
  5 21  2  0  0  0  0
  6 25  1  0  0  0  0
  6 31  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 39  1  0  0  0  0
  8 21  1  0  0  0  0
  8 23  1  0  0  0  0
  8 44  1  0  0  0  0
  9 23  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 30  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56442730

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
648

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYBAAAAAAAAAAAAAGAAAAWAAAAAwYAAAAAAAAAAB0AAAHwQQAAAADQyF3hKz15LIFAisAyVydACC+KllKjkJiDU2bNiMJrLkvZuEMShu1RPI6aeYyaCeCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19F2N3O3S/c1-12-10-16(12)20(29)25-14-8-6-13(7-9-14)19(28)27-22-26-17(11-31-22)15-4-2-3-5-18(15)30-21(23)24/h2-9,11-12,16,21H,10H2,1H3,(H,25,29)(H,26,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
UJDNOMWVOFFBIN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
443.11151897

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19F2N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
443.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
443.11151897

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  23  8
1  27  8
10  13  3
11  14  3
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
22  25  8
22  26  8
24  27  8
25  28  8
26  29  8
28  30  8
29  30  8
9  23  8
9  24  8

$$$$