
 METHDILAZINE

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.9785    1.7343    2.6748 C   0  0  0  0  0
    3.3485    0.3303    2.5741 N   0  0  0  0  0
    2.2708   -0.4876    2.0168 C   0  0  0  0  0
    2.9825   -1.7962    1.7128 C   0  0  0  0  0
    4.4409   -1.4059    1.4193 C   0  0  0  0  0
    4.4810    0.1066    1.6752 C   0  0  0  0  0
    5.4574   -2.1442    2.3150 C   0  0  0  0  0
    5.5051   -3.6098    2.0634 N   0  0  0  0  0
    5.8850   -4.0167    0.7575 C   0  0  0  0  0
    6.9742   -3.4119    0.0984 C   0  0  0  0  0
    7.3858   -3.8232   -1.1733 C   0  0  0  0  0
    6.7194   -4.8563   -1.8181 C   0  0  0  0  0
    5.6464   -5.4795   -1.1867 C   0  0  0  0  0
    5.2331   -5.0754    0.0940 C   0  0  0  0  0
    3.8270   -5.9222    0.7907 S   0  0  0  0  0
    3.9868   -5.5058    2.5159 C   0  0  0  0  0
    3.2609   -6.2890    3.4296 C   0  0  0  0  0
    3.3227   -6.0306    4.7965 C   0  0  0  0  0
    4.1202   -4.9940    5.2608 C   0  0  0  0  0
    4.8381   -4.2075    4.3553 C   0  0  0  0  0
    4.7672   -4.4223    2.9639 C   0  0  0  0  0
    3.8051    2.3162    3.0965 H   0  0  0  0  0
    2.1260    1.8547    3.3524 H   0  0  0  0  0
    2.7103    2.1693    1.7055 H   0  0  0  0  0
    1.8647   -0.0560    1.0929 H   0  0  0  0  0
    1.4502   -0.6317    2.7268 H   0  0  0  0  0
    2.9011   -2.4581    2.5799 H   0  0  0  0  0
    2.5265   -2.3079    0.8588 H   0  0  0  0  0
    4.6645   -1.5888    0.3619 H   0  0  0  0  0
    5.4244    0.4406    2.1196 H   0  0  0  0  0
    4.3449    0.6403    0.7251 H   0  0  0  0  0
    5.2278   -1.9072    3.3597 H   0  0  0  0  0
    6.4566   -1.7174    2.1652 H   0  0  0  0  0
    7.5502   -2.6303    0.5841 H   0  0  0  0  0
    8.2366   -3.3428   -1.6498 H   0  0  0  0  0
    7.0369   -5.1837   -2.8044 H   0  0  0  0  0
    5.1323   -6.2901   -1.6984 H   0  0  0  0  0
    2.6424   -7.1111    3.0764 H   0  0  0  0  0
    2.7603   -6.6449    5.4942 H   0  0  0  0  0
    4.1955   -4.7978    6.3273 H   0  0  0  0  0
    5.4863   -3.4367    4.7631 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 21  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
METHDILAZINE

>  <PubChem CID>
14677

>  <Formula>
C18H20N2S

>  <Molecular Weight>
296.432000

>  <IUPAC Name>
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

>  <Isomeric SMILES>
CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3

>  <InChI Key>
HTMIBDQKFHUPSX-UHFFFAOYSA-N

