EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:103907 - 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

ChEBI IDCHEBI:103907
ChEBI Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
Stars
DownloadsMolfile
FormulaC30H34N4O3S2
Net Charge0
Average Mass562.761
Monoisotopic Mass562.20723
SMILESCCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1
InChIInChI=1S/C30H34N4O3S2/c1-4-22-10-15-27-28(20-22)38-30(31-27)34(18-7-17-32(2)3)29(35)24-11-13-26(14-12-24)39(36,37)33-19-16-23-8-5-6-9-25(23)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3
InChIKeyYLRRAAAQNUKZCI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (CHEBI:103907) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-15260LINCS