Compound Identification
SMILES
O=C(C1=CC=CC=C1)C1=C(NC(=S)NC1C1=CC=CO1)C1=CC=CC=C1
InChIKey
InChIKey=XLLWZRRFLQCXTJ-UHFFFAOYSA-N
Formula
C21H16N2O2S
Mass
360.43
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
Aryl ketones Benzoyl derivatives 2-Thiopyrimidines Pyrimidinethiones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoyl - Aryl ketone - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Thiourea - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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