60579588
  -OEChem-05102418502D

 52 54  0     1  0  0  0  0  0999 V2000
   11.5542    1.5173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244   -0.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -0.5520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711    0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6693    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 24  1  0  0  0  0
  2 16  2  0  0  0  0
  3 25  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 21  1  0  0  0  0
  6 25  1  0  0  0  0
  6 50  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 23  2  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60579588

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
481

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxAAAAHgQQAAAADCjF2ASywYPAAAiIAiVSUACCAAAlChAIiB0IZMgIYDLglZGUIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[cyclohexyl(methyl)amino]ethyl]-<I>N</I>-methyl-3-oxo-4<I>H</I>-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-keto-N-methyl-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H27N3O2S/c1-21(15-6-4-3-5-7-15)10-11-22(2)19(24)14-8-9-17-16(12-14)20-18(23)13-25-17/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
BZZSHXXKGCVPNZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
361.18239829

> <PUBCHEM_MOLECULAR_FORMULA>
C19H27N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
361.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCN(C)C(=O)C1=CC2=C(C=C1)SCC(=O)N2)C3CCCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCN(C)C(=O)C1=CC2=C(C=C1)SCC(=O)N2)C3CCCCC3

> <PUBCHEM_CACTVS_TPSA>
78

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
361.18239829

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
18  19  8
18  20  8
19  21  8
20  23  8
21  22  8
22  23  8

$$$$