Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=MISCKDRISNMBRT-UHFFFAOYSA-N
Formula
C20H21N3O4S
Mass
399.47
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
Dimethoxybenzenes p-Toluamides Benzoic acids and derivatives Styrenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Thiosemicarbazides Carboxylic acid hydrazides Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - P-toluamide - Toluamide - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen 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