68846
  -OEChem-04262406212D

 36 38  0     0  0  0  0  0  0999 V2000
    4.6660   -2.4827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9760    3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68846

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgQAAAAACAjB0AQywYMAAAiIACVSUACCAAAhChAIiByIZIgIYGLgkbGUIAhghADoyAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(dimethylamino)-1-phenothiazin-10-yl-ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
2-(dimethylamino)-1-(10-phenothiazinyl)ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(dimethylamino)-1-phenothiazin-10-ylethanone

> <PUBCHEM_IUPAC_NAME>
2-(dimethylamino)-1-phenothiazin-10-ylethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(dimethylamino)-1-phenothiazin-10-yl-ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(dimethylamino)-1-phenothiazin-10-yl-ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16N2OS/c1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HKUCYAHWPVLPFN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
284.09833431

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16N2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
284.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

> <PUBCHEM_CACTVS_TPSA>
48.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.09833431

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  15  8
12  16  8
13  17  8
14  18  8
15  17  8
16  18  8
5  11  8
5  7  8
6  12  8
6  8  8
7  13  8
8  14  8

$$$$