24686991
  -OEChem-04262403272D

 39 42  0     0  0  0  0  0  0999 V2000
    9.2564    1.4036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564   -1.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8551    2.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551   -2.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983    2.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0983   -2.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643    2.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9643   -2.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.6931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487   -2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335    3.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0335   -3.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307    2.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5307   -2.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24686991

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
446

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MABAAAAAAAAAAAAAAAAAASJEgAAwAAAAAAAAAEgB/gAAHgQAAAAADATl2AawB8MABEiMAqlSkAKDCIAkKBBIiBnODMgOJjKktT+HOSjkxhG4qYeY36LuAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-furylmethyl)-N-(2-thienylmethyl)benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-furanylmethyl)-N-(thiophen-2-ylmethyl)-2-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(furan-2-ylmethyl)-<I>N</I>-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-furfuryl)-N-(2-thenyl)coumarilamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15NO3S/c21-19(18-11-14-5-1-2-8-17(14)23-18)20(12-15-6-3-9-22-15)13-16-7-4-10-24-16/h1-11H,12-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
YLGIARPCMDOBDE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
337.07726451

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15NO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
337.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=C(O2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=C(O2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4

> <PUBCHEM_CACTVS_TPSA>
74.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.07726451

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  10  8
1  23  8
10  15  8
11  16  8
12  13  8
12  14  8
12  17  8
14  18  8
15  21  8
16  22  8
17  19  8
18  20  8
19  20  8
2  14  8
2  9  8
21  23  8
22  24  8
3  11  8
3  24  8
9  13  8

$$$$