Compound Identification
SMILES
COC1=C(OC)C(Br)=CC(C=CC(=O)NC2=C(C#N)C3=C(CCCC3)S2)=C1
InChIKey
InChIKey=LGNCTQDXLWEOFE-UHFFFAOYSA-N
Formula
C20H19BrN2O3S
Mass
447.35
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 Anisoles N-arylamides Phenoxy compounds Styrenes Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Styrene - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Cyanide - Organic oxide - Organohalogen compound - 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