
 SMR000195626

 41 43  0  0  0  0  0  0  0  0999 V2000
    9.9192    4.9735   -1.1386 C   0  0  0  0  0
    8.8090    5.7370   -1.8009 C   0  0  0  0  0
    7.4692    5.3451   -1.6264 C   0  0  0  0  0
    6.4358    6.0505   -2.2416 C   0  0  0  0  0
    6.7676    7.1539   -3.0471 C   0  0  0  0  0
    8.0890    7.5473   -3.2422 C   0  0  0  0  0
    9.1097    6.8346   -2.6175 C   0  0  0  0  0
    5.7472    7.8489   -3.6474 O   0  0  0  0  0
    5.0561    5.8103   -2.0544 N   0  0  0  0  0
    4.3415    4.7903   -1.4820 C   0  0  0  0  0
    4.8315    3.2282   -1.1430 S   0  0  0  0  0
    3.0369    5.1098   -1.1422 N   0  0  0  0  0
    2.4018    6.3405   -1.2122 C   0  0  0  0  0
    2.8414    7.2840   -1.8652 O   0  0  0  0  0
    1.1614    6.4168   -0.4725 C   0  0  0  0  0
    0.3354    7.4956   -0.2299 C   0  0  0  0  0
   -0.7263    7.0206    0.5727 C   0  0  0  0  0
   -0.5065    5.6708    0.7650 C   0  0  0  0  0
    0.6481    5.2978    0.1306 O   0  0  0  0  0
   -1.2314    4.6282    1.4829 C   0  0  0  0  0
   -1.0933    3.2750    1.1407 C   0  0  0  0  0
   -1.8271    2.2892    1.8104 C   0  0  0  0  0
   -2.7005    2.6497    2.8333 C   0  0  0  0  0
   -2.8440    3.9859    3.1952 C   0  0  0  0  0
   -2.1136    4.9696    2.5210 C   0  0  0  0  0
   -3.6111    1.4410    3.6502 Cl  0  0  0  0  0
    9.5409    4.3379   -0.3312 H   0  0  0  0  0
   10.6464    5.6631   -0.6971 H   0  0  0  0  0
   10.4258    4.3389   -1.8721 H   0  0  0  0  0
    7.2658    4.5110   -0.9663 H   0  0  0  0  0
    8.3388    8.4024   -3.8615 H   0  0  0  0  0
   10.1429    7.1438   -2.7603 H   0  0  0  0  0
    6.1300    8.5469   -4.2031 H   0  0  0  0  0
    4.4887    6.5726   -2.4394 H   0  0  0  0  0
    2.5442    4.3837   -0.6361 H   0  0  0  0  0
    0.4984    8.5036   -0.5859 H   0  0  0  0  0
   -1.5604    7.5934    0.9537 H   0  0  0  0  0
   -0.4256    2.9754    0.3357 H   0  0  0  0  0
   -1.7159    1.2468    1.5235 H   0  0  0  0  0
   -3.5216    4.2713    3.9957 H   0  0  0  0  0
   -2.2396    6.0072    2.8226 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
SMR000195626

>  <PubChem CID>
2905078

>  <Formula>
C19H15ClN2O3S

>  <Molecular Weight>
386.850000

>  <IUPAC Name>
5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]furan-2-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClN2O3S/c1-11-2-7-15(23)14(10-11)21-19(26)22-18(24)17-9-8-16(25-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3,(H2,21,22,24,26)

>  <InChI Key>
NCJZANHDHLKJNX-UHFFFAOYSA-N

