Compound Identification
SMILES
[O-][N+]1=CC=C(CC(=O)N2CCC(CC2)=C2C3=C(SCC4=C2N=CC=C4)C=C(Cl)C=C3)C=C1
InChIKey
InChIKey=HNHXIFCOKIJATD-UHFFFAOYSA-N
Formula
C25H22ClN3O2S
Mass
463.98
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
N-acylpiperidines Alkylarylthioethers Pyridinium derivatives Benzenoids Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - N-acyl-piperidine - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Piperidine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic salt - Organic cation - 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