Compound Identification
SMILES
Cl.CN1CCC2=C(Cl)C=CC3=C2C(C1)=C(S3)C(Cl)=O
InChIKey
InChIKey=XYGBMIKUQYHEAJ-UHFFFAOYSA-N
Formula
C13H12Cl3NOS
Mass
336.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
1-benzothiophenes Thiophene carboxylic acids and derivatives Azepines Aralkylamines Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - 1-benzothiophene - Benzothiophene - Thiophene carboxylic acid or derivatives - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Acyl chloride - Azacycle - Acyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available