• 
  [Synonyms]
  hycanthone
  Hicantona
  Hycanthonum
  Hycanthon
  Etrenol
  Lucanthone metabolite
  Hycanthone mesylate
  Prestwick_698
  Hycanthone [USAN:INN]
  Hicantona [INN-Spanish]
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	356.48176 [g/mol]
  Molecular Formula	C20H24N2O2S
  XLogP	3.3
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	7
  Tautomer Count	4
  Exact Mass	356.155849
  MonoIsotopic Mass	356.155849
  Topological Polar Surface Area	52.6
  Heavy Atom Count	25
  Formal Charge	0
  Complexity	443
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one
  Canonical SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O
  InChI: InChI=1/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19
  (24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3