Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)N1CCSC11CCN(CC1)C(=O)NC1=CC(Br)=CC=C1
InChIKey
InChIKey=ZBFDFCXFEIJSQV-UHFFFAOYSA-N
Formula
C21H21BrClN3O2S
Mass
494.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azaspirodecane derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azaspirodecane derivatives
Alternative Parents
3-halobenzoic acids and derivatives N-phenylureas Piperidinecarboxamides Benzamides Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Ureas Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Azaspirodecane - 1-piperidinecarboxamide - Piperidinecarboxamide - Benzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Bromobenzene - Halobenzene - Aryl chloride - Piperidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Thiazolidine - Tertiary carboxylic acid amide - Urea - Carboxamide group - Carboxylic acid derivative - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
External Descriptors
Not available