EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93427 - 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

ChEBI IDCHEBI:93427
ChEBI Name2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Stars
DownloadsMolfile
FormulaC18H20N2O4S
Net Charge0
Average Mass360.435
Monoisotopic Mass360.11438
SMILESCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC
InChIInChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyFSPQCTGGIANIJZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CHEBI:93427) is a dimethoxybenzene (CHEBI:51681)
Manual XrefsDatabases
LSM-3826LINCS