56443902
  -OEChem-05062423252D

 50 53  0     0  0  0  0  0  0999 V2000
    3.7891    2.5435    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    6.3398    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    7.0442    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    5.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    4.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    5.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    6.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    5.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    5.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779    6.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9326    3.6327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    3.9962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147    6.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848    4.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259    6.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134    5.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 33  1  0  0  0  0
  3 33  1  0  0  0  0
  4 14  1  0  0  0  0
  4 33  1  0  0  0  0
  5 21  2  0  0  0  0
  6 27  2  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  7 40  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 41  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  2  0  0  0  0
 11 22  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 23  2  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 29 46  1  0  0  0  0
 30 32  2  0  0  0  0
 30 47  1  0  0  0  0
 31 32  1  0  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 33 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56443902

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
657

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYBAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAAAB1AAAHwQQAAAADAyF3hKx15LIFAisAyVydACC+KllKjkJiDU2bNiMJrLkvZuEMShu1RPI6aeYyaCeCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H17F2N3O3S/c25-23(26)32-20-9-5-4-8-18(20)19-14-33-24(28-19)29-22(31)16-10-12-17(13-11-16)27-21(30)15-6-2-1-3-7-15/h1-14,23H,(H,27,30)(H,28,29,31)

> <PUBCHEM_IUPAC_INCHIKEY>
OOCJRRHFBDOVLL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
465.09586891

> <PUBCHEM_MOLECULAR_FORMULA>
C24H17F2N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
465.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
465.09586891

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  19  8
1  22  8
10  14  8
10  20  8
11  22  8
12  15  8
12  16  8
13  17  8
13  18  8
14  23  8
15  17  8
16  18  8
20  24  8
23  25  8
24  25  8
26  28  8
26  29  8
28  30  8
29  31  8
30  32  8
31  32  8
9  11  8
9  19  8

$$$$