Compound Identification
SMILES
COC1=C(OC)C(Br)=CC(C=CC(=O)NC2=NC(=CS2)C2=CC=C(F)C=C2)=C1
InChIKey
InChIKey=MAABODMZYDYGAD-UHFFFAOYSA-N
Formula
C20H16BrFN2O3S
Mass
463.32
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
Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles N-arylamides 2,4-disubstituted thiazoles Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Styrene - N-arylamide - Phenoxy compound - Methoxybenzene - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - 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