Marvin  11110811082D          

 22 25  0  0  0  0            999 V2000
   -2.9170   -0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -2.6223    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591   -0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591   -2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314    0.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 20 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <ID>
CHEBI:51024

> <NAME>
metixene

> <STAR>
3

> <SYNONYM>
Metisene; Methixen

> <IUPAC_NAME>
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine

> <INN>
metixenum; metixeno; metixene; metixene

> <FORMULA>
C20H23NS

> <MASS>
309.46936

> <MONOISOTOPIC_MASS>
309.15512

> <CHARGE>
0

> <SMILES>
CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1

> <INCHI>
InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3

> <INCHIKEY>
MJFJKKXQDNNUJF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
267181

> <CAS_REGISTRY_NUMBER>
4969-02-2

> <CHEMIDPLUS>
4969-02-2

> <DRUGBANK_ACCESSION>
DB00340

> <LINCS_ACCESSION>
LSM-1467

> <WIKIPEDIA_ACCESSION>
Metixene

$$$$