KEGG   COMPOUND: C22789
Entry
C22789                      Compound                               
Name
alpha-Methylthiofentanyl;
N-{1-[1-Methyl-2-(2-thienyl)ethyl]-4-piperidyl}propionanilide
Formula
C21H28N2OS
Exact mass
356.1922
Mol weight
356.5248
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  C22789
Other DBs
CAS: 103963-66-2
LinkDB
KCF data

ATOM        25
            1   N1c N    16.2381  -29.3283
            2   C1y C    17.4980  -30.0282
            3   C8y C    15.0483  -30.0282
            4   C5a C    16.2381  -27.9284
            5   C1x C    17.4980  -31.4280
            6   C1x C    18.6879  -29.3283
            7   C8x C    13.8584  -29.3283
            8   C8x C    15.0483  -31.4280
            9   C1b C    17.4980  -27.2285
            10  O5a O    15.0483  -27.2285
            11  C1x C    18.6879  -32.1279
            12  C1x C    19.8777  -30.0282
            13  C8x C    12.5986  -30.0282
            14  C8x C    13.7884  -32.1279
            15  C1a C    18.6879  -27.9284
            16  N1y N    19.8777  -31.4280
            17  C8x C    12.5986  -31.3580
            18  C1c C    21.1376  -32.1279
            19  C1b C    22.3274  -31.4280
            20  C8y C    23.5173  -32.1279
            21  C1a C    21.1376  -33.5279
            22  C8x C    23.6525  -33.5237
            23  C8x C    25.0218  -33.8264
            24  C8x C    25.7328  -32.6177
            25  S2x S    24.8030  -31.5680
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 1
            16   13  17 2
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   12  16 1
            21   14  17 1
            22   18  21 1
            23   20  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   20  25 1

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