Compound Identification
SMILES
NC(=N)SCC1=CC=CC=C1.CC(CC(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=XYXMWJXPFLNZRD-UHFFFAOYSA-N
Formula
C18H22N2O2S
Mass
330.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Benzene and substituted derivatives Isothioureas Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Benzenoid - Monocyclic benzene moiety - Isothiourea - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available