Compound Identification
SMILES
CCN(CCOC(=O)CCCCC1CCSS1)CC(=O)NC1=C(C)C=CC=C1C
InChIKey
InChIKey=KBZWZAUDMZYREW-UHFFFAOYSA-N
Formula
C22H34N2O3S2
Mass
438.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
-
Class
Dithiolanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dithiolanes
Subclass
Lipoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lipoic acids and derivatives
Alternative Parents
Alpha amino acid amides Anilides m-Xylenes N-arylamides Fatty acid esters 1,2-dithiolanes Trialkylamines Secondary carboxylic acid amides Organic disulfides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - Lipoic_acid_derivative - Alpha-amino acid or derivatives - Anilide - M-xylene - Xylene - N-arylamide - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,2-dithiolane - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Organic disulfide - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
External Descriptors
Not available