Compound Identification
SMILES
[Cl-].CC1=C(SC=C1)C(=C/CCN1CCC=C(C1)C(O)=O)\C1=CC=CC=C1C
InChIKey
InChIKey=DHKLANKXQLJFLH-NVMQZCJTSA-M
Formula
C22H25ClNO2S
Mass
402.96
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 Toluenes Hydropyridines Thiophenes Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkaloid or derivatives - Styrene - Toluene - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic chloride salt - Organic anion - 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