CHEBI:103911 - 2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one
ChEBI ID CHEBI:103911
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H25NO2S
Net Charge 0
Average Mass 367.506
Monoisotopic Mass 367.16060
InChI InChI=1S/C22H25NO2S/c24-20-15-17-7-2-3-8-21(17)26-22-16-18(9-10-19(20)22)25-14-6-13-23-11-4-1-5-12-23/h2-3,7-10,16H,1,4-6,11-15H2
InChIKey HVBFDMQTIYPSNN-UHFFFAOYSA-N
SMILES C1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=O)CC4=CC=CC=C4S3
ChEBI Ontology
Outgoing 2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one (CHEBI:103911) is a dibenzothiepine (CHEBI:38924)
Manual Xref Database
LSM-15264 LINCS
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