55551260
  -OEChem-05082402492D

 45 47  0     0  0  0  0  0  0999 V2000
    6.5468    2.7252    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2927    3.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2224    3.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.7547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236    2.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1018    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2063    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.6054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.9151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079    2.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935    1.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8714    1.0267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625    1.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7432    3.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 10  2  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
  4 22  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 42  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  0  0  0  0
 14 20  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55551260

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
504

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAAB8AAAHgQQAAAADAzl3gaz1ZPIFEisA61y9AKC+KllKjkJiBX+bMiOJjrk/b+HOSjsxxPY6aeYlwIOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[2-(N-ethyl-2-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-2-thiazolyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[2-(<I>N</I>-ethyl-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[2-[ethyl-(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[2-(N-ethyl-2-methyl-anilino)-2-keto-ethyl]thiazol-2-yl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O3S/c1-3-22(15-8-5-4-7-13(15)2)17(23)11-14-12-26-19(20-14)21-18(24)16-9-6-10-25-16/h4-10,12H,3,11H2,1-2H3,(H,20,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
FVAMHGXSRRXFKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
369.11471265

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
369.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(C1=CC=CC=C1C)C(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(C1=CC=CC=C1C)C(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
369.11471265

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  20  8
1  21  8
11  16  8
13  18  8
14  20  8
16  19  8
18  19  8
23  24  8
24  25  8
25  26  8
3  23  8
3  26  8
6  14  8
6  21  8
8  11  8
8  13  8

$$$$