Compound Identification
SMILES
CN(C)CCCOCC1=CC2=C(S1)C1=C(SC3=CC=CC=C23)C=CC(F)=C1
InChIKey
InChIKey=CMRPZQWUSWPTSB-UHFFFAOYSA-N
Formula
C22H22FNOS2
Mass
399.54
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 Benzenoids Aryl fluorides Heteroaromatic compounds Trialkylamines Dialkyl ethers Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - 2,3,5-trisubstituted thiophene - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Thioether - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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