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CHEBI:232783 - S3QEL 1.2

Default Structure
ChEBI IDCHEBI:232783
ChEBI NameS3QEL 1.2
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC28H28ClN3O3S
Net Charge0
Average Mass522.070
Monoisotopic Mass521.15399
SMILESO=C(NCc1ccco1)C1CCC(Cn2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)CC1
InChIInChI=1S/C28H28ClN3O3S/c29-22-13-9-20(10-14-22)18-36-28-31-25-6-2-1-5-24(25)27(34)32(28)17-19-7-11-21(12-8-19)26(33)30-16-23-4-3-15-35-23/h1-6,9-10,13-15,19,21H,7-8,11-12,16-18H2,(H,30,33)
InChIKeyAEKFXINUKNBRJN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
S3QEL 1.2 (CHEBI:232783) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
Citations