Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)NC(=S)NC2=C(C(N)=O)C3=C(CC(C)CC3)S2)C=C1
InChIKey
InChIKey=CNXULIRJSCTYIM-UHFFFAOYSA-N
Formula
C22H25N3O4S2
Mass
459.58
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 Thiophene carboxamides Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Thioureas Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Methoxybenzene - Anisole - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Thiourea - Primary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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