Ketcher 12141815462D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
   14.9543  -19.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0882  -19.8168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3563  -17.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8204  -19.8168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2222  -19.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4901  -18.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6864  -19.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3563  -19.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4184  -18.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5524  -19.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5524  -17.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2222  -18.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9543  -18.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6864  -18.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4184  -19.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4901  -19.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6240  -17.8168    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.2845  -17.8168    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  4  1  1  0     0  0
 13  1  2  0     0  0
  5  2  1  0     0  0
 12  3  1  0     0  0
  6  3  2  0     0  0
  5 12  2  0     0  0
  7  4  1  0     0  0
  8  5  1  0     0  0
 16  6  1  0     0  0
  8 16  2  0     0  0
 14  7  1  0     0  0
 10  7  2  0     0  0
 15  9  2  0     0  0
 11  9  1  0     0  0
 11 14  2  0     0  0
 15 10  1  0     0  0
  6 17  1  0     0  0
  9 18  1  0     0  0
M  END
> <ID>
CHEBI:142794

> <NAME>
4,4'-dichlorocarbanilide

> <DEFINITION>
A phenylurea that is urea in which one of the hydrogens of each amino group is replaced by a 4-chlorophenyl group.

> <STAR>
3

> <IUPAC_NAME>
N,N'-bis(4-chlorophenyl)urea

> <FORMULA>
C13H10Cl2N2O

> <MASS>
281.138

> <MONOISOTOPIC_MASS>
280.01702

> <CHARGE>
0

> <SMILES>
C(NC1=CC=C(C=C1)Cl)(NC=2C=CC(=CC2)Cl)=O

> <INCHI>
InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

> <INCHIKEY>
ZNQCSLYENQIUMJ-UHFFFAOYSA-N

> <PUBMED_CITATION>
30033524

$$$$