Compound Identification
SMILES
Cl.C(CN1CCCC1)OCC1=CC2=C(S1)C1=CC=CC=C1SC1=CC=CC=C21
InChIKey
InChIKey=SXGIXBQKAAXGEE-UHFFFAOYSA-N
Formula
C23H24ClNOS2
Mass
430.02
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 Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - 2,3,5-trisubstituted thiophene - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Thiophene - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Azacycle - Thioether - Amine - Hydrochloride - Organooxygen compound - Organonitrogen 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