24761960
  -OEChem-06201300392D

 43 46  0     0  0  0  0  0  0999 V2000
    4.3907    0.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605    3.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016   -0.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    2.2204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8688   -0.5789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -1.7004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1013    1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714    1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054    2.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283    3.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8394    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8394    1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8068    3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1175    4.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0598    0.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907   -0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894   -1.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827   -2.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045   -2.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -4.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2666    0.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0550    0.3017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5621    1.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5621    1.8303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054   -0.2044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054    3.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024    2.2256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8274    2.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4206    3.2897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7068    4.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3101    4.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5282    4.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9309    1.4288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484   -2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438   -2.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424   -4.9341    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 14  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  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 18  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 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  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 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24761960

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
546

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB8AAAHgQQAAAADAzl3gaz1ZPIFEisA61y9AKC+KllKjkJiDX+bNiOJrLkvb+HOSjsxxPY6aeYl8IOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(1-propanoylindolin-5-yl)thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(1-propionylindolin-5-yl)thiazol-2-yl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17N3O3S/c1-2-17(23)22-8-7-13-10-12(5-6-15(13)22)14-11-26-19(20-14)21-18(24)16-4-3-9-25-16/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
BPPUUWBBFKGZJS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
367.099062

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
367.42158

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.099062

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  20  8
1  21  8
10  11  8
10  12  8
11  13  8
12  15  8
13  16  8
15  16  8
18  20  8
23  24  8
24  25  8
25  26  8
3  23  8
3  26  8
6  18  8
6  21  8

$$$$