Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC1=CC=C(F)C=C1
InChIKey
InChIKey=BOOTWIWNKJIJBV-UHFFFAOYSA-N
Formula
C18H15BrFN3O3S
Mass
452.3
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
3-halobenzoic acids and derivatives Styrenes Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Thiosemicarbazides Carboxylic acid hydrazides Carbonyl compounds Organic oxides Organobromides Organosulfur compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Anisole - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Aryl fluoride - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organobromide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen 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