Compound Identification
SMILES
CCCC1=CC2=C(SCCC3=CC(=O)N(N=C23)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=YRQFOKYDKFKUAK-UHFFFAOYSA-N
Formula
C21H19ClN2OS
Mass
382.91
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
Pyridazinones Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Chlorobenzene - Halobenzene - Pyridazinone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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