• 
  [Synonyms]
  Hycanthone furoate
  LS-70163
  1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one furoate
  Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-hydroxymethyl-, furoate
  2-Furancarboxylic acid, (1-((2-(diethylamino)ethyl)amino)-9-oxo-9H-thioxanthen-4-yl)methyl ester
  50283-78-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	450.54994 [g/mol]
  Molecular Formula	C25H26N2O4S
  XLogP	4.4
  H-Bond Donor	1
  H-Bond Acceptor	6
  Rotatable Bond Count	10
  Tautomer Count	4
  Exact Mass	450.161328
  MonoIsotopic Mass	450.161328
  Topological Polar Surface Area	71.8
  Heavy Atom Count	32
  Formal Charge	0
  Complexity	643
  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)-9-oxothioxanthen-4-yl]methyl
  furan-2-carboxylate
  Canonical SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)C3=CC=CO3)SC4=CC=CC=C4C2=O
  InChI: InChI=1/C25H26N2O4S/c1-3-27(4-2)14-13-26-19-12-11-17(16-31-25(29)20-9-7-
  15-30-20)24-22(19)23(28)18-8-5-6-10-21(18)32-24/h5-12,15,26H,3-4,13-14,
  16H2,1-2H3