Compound Identification
SMILES
COC1=C(C=C(Br)C=C1)C1NC(=S)NC(C2=CC=CC=C2)=C1C(=O)NC1=CC=C(C)C=C1
InChIKey
InChIKey=LVEKEAUVWSXYJS-UHFFFAOYSA-N
Formula
C25H22BrN3O2S
Mass
508.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Anilides Anisoles Methoxybenzenes N-arylamides Phenoxy compounds 2-Thiopyrimidines Alkyl aryl ethers Toluenes Bromobenzenes Pyrimidinethiones Hydropyrimidines Aryl bromides Vinylogous amides Thioureas Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - Anilide - Phenol ether - N-arylamide - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - Alkyl aryl ether - Bromobenzene - Toluene - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Pyrimidine - 1,2,3,4-tetrahydropyrimidine - Aryl bromide - Vinylogous amide - Secondary carboxylic acid amide - Thiourea - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - 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