
 N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-methylthiourea

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.5606    0.2706    1.1737 C   0  0  0  0  0
    1.9695    0.3597    0.8239 N   0  0  0  0  0
    2.7482    1.5016    0.8593 C   0  0  0  0  0
    2.1228    2.9441    1.4700 S   0  0  0  0  0
    4.0524    1.3431    0.3365 N   0  0  0  0  0
    4.6129    0.0399   -0.0763 C   0  0  0  0  0
    4.3649   -0.2767   -1.5331 C   0  0  0  0  0
    5.2450    0.1737   -2.5257 C   0  0  0  0  0
    5.0118   -0.1259   -3.8714 C   0  0  0  0  0
    3.8910   -0.8635   -4.2529 C   0  0  0  0  0
    3.0170   -1.3276   -3.2733 C   0  0  0  0  0
    3.2531   -1.0355   -1.9255 C   0  0  0  0  0
    3.7729   -1.0927   -5.5957 O   0  0  0  0  0
    2.4675   -1.4196   -6.0596 C   0  0  0  0  0
    5.0233    2.4663    0.2325 C   0  0  0  0  0
    4.6483    3.6877   -0.5700 C   0  0  0  0  0
    5.1059    4.8290    0.2967 C   0  0  0  0  0
    5.1160    5.9733   -0.1424 O   0  0  0  0  0
    5.5168    4.3652    1.5350 N   0  0  0  0  0
    5.4992    2.9826    1.5752 C   0  0  0  0  0
    5.8469    2.2169    2.4649 O   0  0  0  0  0
    5.9291    5.2019    2.6308 C   0  0  0  0  0
    5.8606    6.6051    2.5615 C   0  0  0  0  0
    6.2570    7.4231    3.6318 C   0  0  0  0  0
    6.7289    6.8533    4.8050 C   0  0  0  0  0
    6.8040    5.4734    4.9142 C   0  0  0  0  0
    6.4074    4.6621    3.8402 C   0  0  0  0  0
    7.2141    7.8500    6.1176 Cl  0  0  0  0  0
    0.2022   -0.7204    0.8833 H   0  0  0  0  0
   -0.0116    1.0323    0.6380 H   0  0  0  0  0
    0.4473    0.3974    2.2535 H   0  0  0  0  0
    2.4442   -0.5228    0.8816 H   0  0  0  0  0
    4.2371   -0.7693    0.5561 H   0  0  0  0  0
    5.6927    0.0316    0.1233 H   0  0  0  0  0
    6.1279    0.7520   -2.2666 H   0  0  0  0  0
    5.7060    0.2250   -4.6312 H   0  0  0  0  0
    2.1505   -1.9314   -3.5210 H   0  0  0  0  0
    2.5539   -1.4190   -1.1879 H   0  0  0  0  0
    2.5001   -1.4513   -7.1528 H   0  0  0  0  0
    1.7422   -0.6522   -5.7678 H   0  0  0  0  0
    2.1566   -2.4093   -5.7105 H   0  0  0  0  0
    5.9352    2.0714   -0.2368 H   0  0  0  0  0
    3.5890    3.7841   -0.8102 H   0  0  0  0  0
    5.2061    3.7128   -1.5130 H   0  0  0  0  0
    5.4864    7.1232    1.6838 H   0  0  0  0  0
    6.1857    8.5034    3.5337 H   0  0  0  0  0
    7.1660    5.0100    5.8287 H   0  0  0  0  0
    6.4937    3.5931    4.0059 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 15  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 48  1  0  0  0
M  END

>  <Chemical Name>
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-methylthiourea

>  <PubChem CID>
5206893

>  <Formula>
C20H20ClN3O3S

>  <Molecular Weight>
417.908000

>  <IUPAC Name>
1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CNC(=S)N(CC1=CC=C(C=C1)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CNC(=S)N(CC1=CC=C(C=C1)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H20ClN3O3S/c1-22-20(28)23(12-13-3-9-16(27-2)10-4-13)17-11-18(25)24(19(17)26)15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,28)

>  <InChI Key>
ACBIVSGMHXXZHJ-UHFFFAOYSA-N

