EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107178 - 7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile

ChEBI IDCHEBI:107178
ChEBI Name7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile
Stars
DownloadsMolfile
FormulaC22H19BrN4OS
Net Charge0
Average Mass467.392
Monoisotopic Mass466.04629
SMILESN#CC1=C(Nc2ccccc2)SC=C(c2ccc(Br)cc2)N=C1N1CCOCC1
InChIInChI=1S/C22H19BrN4OS/c23-17-8-6-16(7-9-17)20-15-29-22(25-18-4-2-1-3-5-18)19(14-24)21(26-20)27-10-12-28-13-11-27/h1-9,15,25H,10-13H2
InChIKeyGDJWPEGMOXECJV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile (CHEBI:107178) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-18532LINCS