
 ethopropazine

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.8359    1.0012    0.3338 C   0  0  0  0  0
    4.3845    0.6688   -1.0536 C   0  0  0  0  0
    4.8495   -0.7151   -1.2089 N   0  0  0  0  0
    5.7593   -1.2054   -0.1687 C   0  0  0  0  0
    7.0830   -0.4710    0.0064 C   0  0  0  0  0
    5.2229   -1.1085   -2.5991 C   0  0  0  0  0
    3.9431   -1.1668   -3.4551 C   0  0  0  0  0
    6.3176   -0.2264   -3.2830 C   0  0  0  0  0
    6.6267   -0.6010   -4.6855 N   0  0  0  0  0
    6.3027    0.3453   -5.6895 C   0  0  0  0  0
    6.4794    1.7281   -5.4819 C   0  0  0  0  0
    6.1770    2.6667   -6.4694 C   0  0  0  0  0
    5.6966    2.2443   -7.7000 C   0  0  0  0  0
    5.5476    0.8826   -7.9506 C   0  0  0  0  0
    5.8681   -0.0650   -6.9671 C   0  0  0  0  0
    5.6914   -1.7871   -7.3975 S   0  0  0  0  0
    6.7727   -2.5412   -6.1907 C   0  0  0  0  0
    7.2769   -3.8168   -6.4908 C   0  0  0  0  0
    8.1062   -4.4797   -5.5897 C   0  0  0  0  0
    8.4252   -3.8751   -4.3809 C   0  0  0  0  0
    7.9159   -2.6085   -4.0722 C   0  0  0  0  0
    7.0809   -1.9114   -4.9651 C   0  0  0  0  0
    3.3480    1.9816    0.3146 H   0  0  0  0  0
    4.6330    1.0495    1.0809 H   0  0  0  0  0
    3.0935    0.2647    0.6575 H   0  0  0  0  0
    5.1761    1.3869   -1.2863 H   0  0  0  0  0
    3.5674    0.8580   -1.7577 H   0  0  0  0  0
    5.9677   -2.2706   -0.3332 H   0  0  0  0  0
    5.2297   -1.1883    0.7909 H   0  0  0  0  0
    7.8073   -0.7647   -0.7560 H   0  0  0  0  0
    7.5213   -0.7292    0.9775 H   0  0  0  0  0
    6.9671    0.6165   -0.0170 H   0  0  0  0  0
    5.5830   -2.1443   -2.5539 H   0  0  0  0  0
    3.1342   -1.6786   -2.9207 H   0  0  0  0  0
    4.1136   -1.7318   -4.3766 H   0  0  0  0  0
    3.5904   -0.1700   -3.7380 H   0  0  0  0  0
    7.2469   -0.2327   -2.7100 H   0  0  0  0  0
    5.9604    0.8046   -3.2273 H   0  0  0  0  0
    6.9059    2.0989   -4.5535 H   0  0  0  0  0
    6.3308    3.7262   -6.2778 H   0  0  0  0  0
    5.4580    2.9705   -8.4752 H   0  0  0  0  0
    5.1901    0.5606   -8.9263 H   0  0  0  0  0
    7.0293   -4.2970   -7.4344 H   0  0  0  0  0
    8.5054   -5.4591   -5.8367 H   0  0  0  0  0
    9.0830   -4.3809   -3.6778 H   0  0  0  0  0
    8.2218   -2.1606   -3.1317 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 22  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
ethopropazine

>  <PubChem CID>
3290

>  <Formula>
C19H24N2S

>  <Molecular Weight>
312.475000

>  <IUPAC Name>
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine

>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31

>  <Isomeric SMILES>
CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3

>  <InChI Key>
CDOZDBSBBXSXLB-UHFFFAOYSA-N

