Compound Identification
SMILES
CC1=C(SC=C1)C(=C/CCN1CCC=C(C1)C(O)=O)\C1=CC(Cl)=CC(Cl)=C1
InChIKey
InChIKey=KLZAMWMJOJPENN-IPKBDRFQSA-N
Formula
C21H21Cl2NO2S
Mass
422.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Alkaloids and derivatives
Alternative Parents
Styrenes Dichlorobenzenes Hydropyridines Aryl chlorides Thiophenes Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkaloid or derivatives - 1,3-dichlorobenzene - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors
Not available