Compound Identification
SMILES
CC(C)C1=CC(Br)=C(OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=VFIQJHTWJVETPG-UHFFFAOYSA-N
Formula
C21H21BrClN3O3S
Mass
510.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Phenylpropanes Cumenes Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thiosemicarbazides Carboxylic acid hydrazides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organosulfur compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available