Compound Identification
SMILES
NCCCCC(N)C(O)=O.CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1
InChIKey
InChIKey=NQHVRMVONLLNME-UHFFFAOYSA-N
Formula
C20H26N2O5S
Mass
406.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Phenylpropanoic acids Monocyclic monoterpenoids Aromatic monoterpenoids Alpha amino acids Thiophene carboxylic acids and derivatives Medium-chain fatty acids Benzoyl derivatives Amino fatty acids Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Aryl-phenylketone - 2-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzoyl - Medium-chain fatty acid - Thiophene carboxylic acid or derivatives - Amino fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Amine - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available