Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C(=CC2=CC=C(OCC3=CC=CC=C3F)C=C2)C#N)SC(C(N)=O)=C1C
InChIKey
InChIKey=CQLSHURGWGFECW-UHFFFAOYSA-N
Formula
C25H20FN3O5S
Mass
493.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
2-heteroaryl carboxamides Thiophene carboxamides N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Methyl esters Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Primary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Cyanide - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available