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CHEBI:59803 - N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide

ChEBI IDCHEBI:59803
ChEBI NameN-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide
Stars
ASCII NameN-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide
Last Modified13 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H19N3O2S
Net Charge0
Average Mass365.458
Monoisotopic Mass365.11980
SMILESCSC(O)(CNC(=O)c1cnc2ccccc12)c1cnc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-26-20(25,16-11-22-18-9-5-3-7-14(16)18)12-23-19(24)15-10-21-17-8-4-2-6-13(15)17/h2-11,21-22,25H,12H2,1H3,(H,23,24)
InChIKeyPJYCVBMPEOJLKW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide (CHEBI:59803) is a indoles (CHEBI:24828)
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide (CHEBI:59803) is a monocarboxylic acid amide (CHEBI:29347)
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide (CHEBI:59803) is a monothiohemiketal (CHEBI:59801)
IUPAC Name 
N-[2-hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl]-1H-indole-3-carboxamide
Synonyms  Source
(Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethaneChemIDplus
N-(2-(hydroxy(3-indolyl)methylthio)ethyl)indole-3-carboxamideChemIDplus
Registry NumbersSources
CAS:55142-77-3ChemIDplus