null
  CDK     0224162333
null
 29 31  0  0  0  0  0  0  0  0999 V2000
    1.0132   -6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507   -5.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882   -4.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -3.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5651   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -2.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927   -3.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -3.8341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6464   -2.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7326   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863   -1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537   -2.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675   -2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3138   -3.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7349   -3.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6487   -4.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9074   -1.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9936   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5725   -0.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3262   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -5.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7257   -5.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882   -6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238   -6.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962   -6.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677   -6.1500    0.0000 O   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 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  5 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 29 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:109317

> <NAME>
N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide

> <STAR>
2

> <FORMULA>
C20H23N3O5S

> <MASS>
417.481

> <MONOISOTOPIC_MASS>
417.13584

> <CHARGE>
0

> <SMILES>
CCCCN(C1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CO3

> <INCHI>
InChI=1S/C20H23N3O5S/c1-5-6-9-23(19(24)14-8-7-10-28-14)20-22-21-18(29-20)13-11-15(25-2)17(27-4)16(12-13)26-3/h7-8,10-12H,5-6,9H2,1-4H3

> <INCHIKEY>
OFVLNBHHTWJVHV-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-20715

$$$$