null
  CDK     0225161900
null
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0211    6.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211    5.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211    4.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7356    4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    3.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    2.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    1.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    2.2632    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    1.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367   -0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430    0.2007    0.0000 C   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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11  7  1  4  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 17  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:114920

> <NAME>
1-(3-bicyclo[2.2.1]heptanyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]thiourea

> <STAR>
2

> <FORMULA>
C17H23N3O2S

> <MASS>
333.450

> <MONOISOTOPIC_MASS>
333.15110

> <CHARGE>
0

> <SMILES>
COC1=CC=CC(=C1OC)C=NNC(=S)NC2CC3CCC2C3

> <INCHI>
InChI=1S/C17H23N3O2S/c1-21-15-5-3-4-13(16(15)22-2)10-18-20-17(23)19-14-9-11-6-7-12(14)8-11/h3-5,10-12,14H,6-9H2,1-2H3,(H2,19,20,23)

> <INCHIKEY>
ZWERSZHUAAXQIO-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-26383

$$$$