Compound Identification
SMILES
CN(C)CC1CCCCC1C1(O)C2=C(SC=C2)SCC2=CC=CC=C12
InChIKey
InChIKey=YKADOOIFTVIBPM-UHFFFAOYSA-N
Formula
C21H27NOS2
Mass
373.57
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
Aralkylamines Alkylarylthioethers Benzenoids Thiophenes Tertiary alcohols Heteroaromatic compounds Trialkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Alkylarylthioether - Aralkylamine - Benzenoid - Tertiary alcohol - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Amine - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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