Compound Identification
SMILES
CCC1=NC(S\C(=C\C2=CC(Br)=C(C=C2)N(C)C)C(O)=O)=NN1
InChIKey
InChIKey=WPZWUFUAKMBROH-XYOKQWHBSA-N
Formula
C15H17BrN4O2S
Mass
397.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
2-bromoanilines Aryl thioethers Dialkylarylamines Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Thioenol ethers Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Aryl thioether - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Thioenolether - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available