null
  CDK     0224162329
null
 17 18  0  0  0  0  0  0  0  0999 V2000
    2.6854    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709    1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709    0.2323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854   -0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    0.2323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -1.4901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139   -3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -4.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209   -3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660   -2.9422    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12  8  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:105209

> <NAME>
N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide

> <STAR>
2

> <FORMULA>
C13H15NOS2

> <MASS>
265.397

> <MONOISOTOPIC_MASS>
265.05951

> <CHARGE>
0

> <SMILES>
CCN(CC)C(=O)C1=CC=C(S1)C2=CC=CS2

> <INCHI>
InChI=1S/C13H15NOS2/c1-3-14(4-2)13(15)12-8-7-11(17-12)10-6-5-9-16-10/h5-9H,3-4H2,1-2H3

> <INCHIKEY>
IJEMYRHNCXHVIJ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-16572

$$$$