Mrv0541 09221413262D          

 25 26  0  0  0  0            999 V2000
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   11.6156   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8182   -2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0140   -2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5940   -3.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5940   -4.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3084   -3.1290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373   -3.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1661   -4.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8805   -4.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8805   -3.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1661   -3.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4517   -3.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4517   -4.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5949   -4.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3093   -4.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3093   -3.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0238   -4.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373   -2.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4172   -1.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1657   -2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0228   -3.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6103   -4.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4353   -4.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  2  0  0  0  0
  4  3  2  0  0  0  0
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
 21  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 23  8  1  0  0  0  0
  9 23  1  0  0  0  0
 14  9  1  0  0  0  0
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 15 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 19 17  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
> <ID>
CHEBI:83065

> <NAME>
isofetamid

> <DEFINITION>
An aromatic amide obtained by formal condensation of the carboxy group of 3-methylthiophene-2-carboxylic acid with the amino group of 2-amino-1-(4-isopropoxy-2-methylphenyl)-2-methylpropan-1-one.

> <STAR>
3

> <SYNONYM>
N-[1,1-dimethyl-2-[2-methyl-4-(1-methylethoxy)phenyl]-2-oxoethyl]-3-methyl-2-thiophenecarboxamide; N-[1,1-dimethyl-2-(4-isopropoxy-o-tolyl)-2-oxoethyl]-3-methylthiophene-2-carboxamide; IKF-5411; IKF 5411; 3-methyl-N-{2-methyl-1-[2-methyl-4-(propan-2-yloxy)phenyl]-1-oxopropan-2-yl}thiophene-2-carboxamide

> <IUPAC_NAME>
N-[1-(4-isopropoxy-2-methylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methylthiophene-2-carboxamide

> <FORMULA>
C20H25NO3S

> <MASS>
359.48200

> <MONOISOTOPIC_MASS>
359.15551

> <CHARGE>
0

> <SMILES>
CC(C)Oc1ccc(C(=O)C(C)(C)NC(=O)c2sccc2C)c(C)c1

> <INCHI>
InChI=1S/C20H25NO3S/c1-12(2)24-15-7-8-16(14(4)11-15)18(22)20(5,6)21-19(23)17-13(3)9-10-25-17/h7-12H,1-6H3,(H,21,23)

> <INCHIKEY>
WMKZDPFZIZQROT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
875915-78-9

> <REAXYS_REGISTRY_NUMBER>
11931431

> <CHEMIDPLUS>
875915-78-9

> <PESTICIDES_ACCESSION>
isofetamid

$$$$