Compound Identification
SMILES
Cl.CN(C)CCCOCC1=CC2=C(S1)C1=CC(C)=CC(C)=C1SC1=CC=CC=C21
InChIKey
InChIKey=MJWIOSFQVSLWCV-UHFFFAOYSA-N
Formula
C24H28ClNOS2
Mass
446.06
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 Heteroaromatic compounds Trialkylamines Dialkyl ethers Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - 2,3,5-trisubstituted thiophene - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Thioether - Ether - Dialkyl ether - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - 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