661493
  -OEChem-04252412512D

 40 41  0     1  0  0  0  0  0999 V2000
    6.3301    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  2  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 32  1  0  0  0  0
  8 12  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
661493

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMABGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgYQAAAACArF0CSzwIPAAAioACVSdACCEAFhBxAJikEIZogIIDLhm5GEIAhglgDIyAcVAAAAAABAAAIAAAQAAIAABAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxidanylidene-1,3-thiazinane-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-keto-1,3-thiazinane-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-9-5-6-10(16)11(17)7-9/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
YVNCHMOXNVRRMX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
373.0418534

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17Cl2N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
374.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)CC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)CC

> <PUBCHEM_CACTVS_TPSA>
87.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.0418534

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  18  8
16  19  8
18  21  8
19  22  8
21  23  8
22  23  8
9  14  3

$$$$