EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111411 - 1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]thiourea

ChEBI IDCHEBI:111411
ChEBI Name1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]thiourea
Stars
DownloadsMolfile
FormulaC29H37N5OS
Net Charge0
Average Mass503.716
Monoisotopic Mass503.27188
SMILESO=c1c2cc(NC(=S)NCCCN3CCC(Cc4ccccc4)CC3)ccc2nc2n1CCCCC2
InChIInChI=1S/C29H37N5OS/c35-28-25-21-24(11-12-26(25)32-27-10-5-2-6-17-34(27)28)31-29(36)30-15-7-16-33-18-13-23(14-19-33)20-22-8-3-1-4-9-22/h1,3-4,8-9,11-12,21,23H,2,5-7,10,13-20H2,(H2,30,31,36)
InChIKeyGWHHFRPVMDSYAW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]thiourea (CHEBI:111411) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-22867LINCS