Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2F)C(Br)=CC(C=C(C#N)C(=O)NC2=C(C#N)C3=C(CCCC3)S2)=C1
InChIKey
InChIKey=AFEBPTKMHRMSQG-UHFFFAOYSA-N
Formula
C27H21BrFN3O3S
Mass
566.45
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
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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
Anisoles Methoxybenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Nitriles Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organofluoride - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic 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