Compound Identification
SMILES
ClC1=CC(Cl)=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=DWFWUOFDGRDCPJ-UHFFFAOYSA-N
Formula
C21H15Cl2N3O2S
Mass
444.33
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
Naphthalenes 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Styrenes Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Thiosemicarbazides Carboxylic acid hydrazides Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid or derivatives - Naphthalene - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Styrene - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous halide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homopolycyclic 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