56343403
  -OEChem-04252405312D

 54 57  0     0  0  0  0  0  0999 V2000
    6.3301   -5.8716    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.9648    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3329    4.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5358    3.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    3.7444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    3.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    4.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    5.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5239    6.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4374    5.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -3.8967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -3.8967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -5.7640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -6.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -4.9793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -6.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -6.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.0207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066    0.6152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    4.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2382    5.6933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3950    6.9781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9744    6.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4 23  2  0  0  0  0
  5 29  1  0  0  0  0
  5 32  1  0  0  0  0
  6 28  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 23  1  0  0  0  0
  8 47  1  0  0  0  0
  9 25  1  0  0  0  0
  9 27  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 51  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 26 50  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  2  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56343403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
691

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABgAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAAAB8AAAHgQQAAAADAzl3gaz1ZPIFEisA61y9AKC+KllKjkJiBX+bMiOJjrk/b+HOSjs1xP46aeYn0KeCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[2-[2-methyl-4-[oxo(thiomorpholin-4-yl)methyl]anilino]-2-oxoethyl]-2-thiazolyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[2-[2-methyl-4-(thiomorpholine-4-carbonyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[2-[2-methyl-4-(thiomorpholine-4-carbonyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H22N4O4S2/c1-14-11-15(21(29)26-6-9-31-10-7-26)4-5-17(14)24-19(27)12-16-13-32-22(23-16)25-20(28)18-3-2-8-30-18/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,24,27)(H,23,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
OWQXIAOTCKVSAO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
470.10824754

> <PUBCHEM_MOLECULAR_FORMULA>
C22H22N4O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
470.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)C(=O)N2CCSCC2)NC(=O)CC3=CSC(=N3)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)C(=O)N2CCSCC2)NC(=O)CC3=CSC(=N3)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
158

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.10824754

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
16  17  8
16  20  8
17  18  8
18  19  8
19  21  8
2  26  8
2  27  8
20  21  8
25  26  8
29  30  8
30  31  8
31  32  8
5  29  8
5  32  8
9  25  8
9  27  8

$$$$