Compound Identification
SMILES
Cl.FC1=CC2=C(SC3=CC=CC=C3C3=C2SC(COCCN2CCCC2)=C3)C=C1
InChIKey
InChIKey=BTPOOJLYRXTZLT-UHFFFAOYSA-N
Formula
C23H23ClFNOS2
Mass
448.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Diarylthioethers 2,3,5-trisubstituted thiophenes N-alkylpyrrolidines Benzenoids Aryl fluorides Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - 2,3,5-trisubstituted thiophene - Aryl fluoride - Aryl halide - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Thiophene - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available