
 CHEMBL1202934

 49 49  0  0  0  0  0  0  0  0999 V2000
    1.9099   -0.1970    2.2909 C   0  0  0  0  0
    3.3260    0.3342    2.5443 C   0  0  0  0  0
    4.3796   -0.7150    2.1692 C   0  0  0  0  0
    3.5652    1.6335    1.7945 C   0  0  0  0  0
    3.8663    2.8048    2.5095 C   0  0  0  0  0
    4.0986    4.0049    1.8345 C   0  0  0  0  0
    4.0325    4.0603    0.4318 C   0  0  0  0  0
    3.7252    2.8937   -0.2854 C   0  0  0  0  0
    3.4955    1.6892    0.3889 C   0  0  0  0  0
    4.2952    5.3611   -0.2944 C   0  0  0  0  0
    3.3870    6.3892    0.1610 N   0  0  0  0  0
    3.9573    7.4306    0.8085 C   0  0  0  0  0
    3.2930    8.3362    1.2884 O   0  0  0  0  0
    5.4337    7.4191    0.9323 C   0  0  0  0  0
    6.0039    5.9234    0.0627 S   0  0  0  0  0
    1.9447    6.2752   -0.0438 C   0  0  0  0  0
    1.3770    7.4200   -0.9067 C   0  0  0  0  0
    2.0028    7.5022   -2.3122 C   0  0  0  0  0
    1.8305    6.2663   -3.1094 N   0  0  0  0  0
    0.4141    5.9984   -3.4178 C   0  0  0  0  0
    2.5873    6.3854   -4.3672 C   0  0  0  0  0
    0.6399   -1.8042   -2.2941 Cl  0  0  0  0  0
    1.1593    0.5601    2.6029 H   0  0  0  0  0
    1.7383   -1.1209    2.8837 H   0  0  0  0  0
    1.7541   -0.4360    1.2176 H   0  0  0  0  0
    3.4195    0.5156    3.6385 H   0  0  0  0  0
    4.3276   -0.9721    1.0902 H   0  0  0  0  0
    4.2218   -1.6426    2.7600 H   0  0  0  0  0
    5.3963   -0.3287    2.3971 H   0  0  0  0  0
    3.9255    2.7883    3.5899 H   0  0  0  0  0
    4.3330    4.8946    2.4064 H   0  0  0  0  0
    3.6693    2.9155   -1.3666 H   0  0  0  0  0
    3.2654    0.8012   -0.1850 H   0  0  0  0  0
    4.1934    5.2570   -1.3968 H   0  0  0  0  0
    5.8474    8.3228    0.4383 H   0  0  0  0  0
    5.7154    7.3749    2.0054 H   0  0  0  0  0
    1.4355    6.2731    0.9438 H   0  0  0  0  0
    1.7037    5.3115   -0.5442 H   0  0  0  0  0
    1.5391    8.3933   -0.4019 H   0  0  0  0  0
    0.2775    7.2997   -0.9834 H   0  0  0  0  0
    3.0884    7.7102   -2.1810 H   0  0  0  0  0
    1.5623    8.3729   -2.8496 H   0  0  0  0  0
   -0.1467    5.7425   -2.4968 H   0  0  0  0  0
    0.3227    5.1118   -4.0821 H   0  0  0  0  0
   -0.0644    6.8707   -3.9160 H   0  0  0  0  0
    3.6676    6.5363   -4.1556 H   0  0  0  0  0
    2.2170    7.2375   -4.9815 H   0  0  0  0  0
    2.5002    5.4506   -4.9617 H   0  0  0  0  0
    0.2083   -0.6394   -1.7035 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  4  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1202934

>  <PubChem CID>
49860520

>  <Formula>
C17H27ClN2OS

>  <Molecular Weight>
342.926000

>  <IUPAC Name>
3-[3-(dimethylamino)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C2N(C(=O)CS2)CCCN(C)C.Cl

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)C2N(C(=O)CS2)CCCN(C)C.Cl

>  <InChI Std. ID>
InChI=1S/C17H26N2OS.ClH/c1-13(2)14-6-8-15(9-7-14)17-19(16(20)12-21-17)11-5-10-18(3)4;/h6-9,13,17H,5,10-12H2,1-4H3;1H

>  <InChI Key>
AHWOGYRBIHZHFY-UHFFFAOYSA-N

