53377428
  -OEChem-05102422362D

 56 59  0     0  0  0  0  0  0999 V2000
    6.1105   -0.8941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8803   -4.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    4.4352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    0.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -3.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5267   -4.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5887   -0.2360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2038    0.8855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -1.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8373   -5.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7796   -1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6105   -0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8158   -5.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    2.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    2.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    2.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    5.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749   -1.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9865   -0.8588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2820   -2.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2820   -1.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4252   -0.6105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4252   -3.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0223   -3.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2235   -5.2298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -5.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507   -2.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6880   -5.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4225   -5.4765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9437   -4.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5682    1.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4436    1.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5664    4.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4336    3.6875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 17  1  0  0  0  0
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  9 22  1  0  0  0  0
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 25 27  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53377428

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
656

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB0AAAHgQQAAAADAzF3gaz15PIFAisAyVydACC+KllKjkJiLU+bNiMJ7LkvZuEMSht1xfI6ae66NyOCAADCAACAAAQAAYQAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[2-[(3,5-dimethoxybenzoyl)amino]thiazol-4-yl]-N-ethyl-indoline-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-[2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4-thiazolyl]-N-ethyl-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-<I>N</I>-ethyl-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[2-[(3,5-dimethoxyphenyl)carbonylamino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[2-[(3,5-dimethoxybenzoyl)amino]thiazol-4-yl]-N-ethyl-indoline-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N4O4S/c1-4-24-23(29)27-8-7-15-9-14(5-6-20(15)27)19-13-32-22(25-19)26-21(28)16-10-17(30-2)12-18(11-16)31-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,24,29)(H,25,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
MMQXYOUNCBKSOO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
452.15182643

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N4O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
452.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
121

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
452.15182643

> <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>
1  21  8
1  22  8
12  13  8
12  14  8
13  15  8
14  16  8
15  18  8
16  18  8
19  21  8
25  26  8
25  27  8
26  29  8
27  28  8
28  30  8
29  30  8
8  19  8
8  22  8

$$$$