Compound Identification
SMILES
O[C@@H](COC1=CC=CC=C1F)CN1CCN(CC2=CSC3=CC=CC=C23)CC1
InChIKey
InChIKey=PKEMZCLTVPLYPO-GOSISDBHSA-N
Formula
C22H25FN2O2S
Mass
400.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
Phenoxy compounds Phenol ethers N-alkylpiperazines Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Thiophenes Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Ether - Alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available