Compound Identification
SMILES
COC1=C(OC)C=C(\C=C\C(=O)NC(=S)N2CCCC2)C=C1
InChIKey
InChIKey=LWASVEKTWYYGEU-SOFGYWHQSA-N
Formula
C16H20N2O3S
Mass
320.41
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 Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Pyrrolidines Thioureas Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Styrene - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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