Compound Identification
SMILES
OC(=O)CCCCNC1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=OZMVCLQSNHXYJA-UHFFFAOYSA-N
Formula
C19H20ClNO2S
Mass
361.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Delta amino acids and derivatives Diarylthioethers Aralkylamines Benzenoids Aryl chlorides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Delta amino acid or derivatives - Diarylthioether - Aryl thioether - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Thioether - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available