Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2F)C(I)=CC(C=C(C#N)C(=O)NC2=C(C#N)C3=C(CCCC3)S2)=C1
InChIKey
InChIKey=BHUABDDJDLRSRP-UHFFFAOYSA-N
Formula
C27H21FIN3O3S
Mass
613.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Iodobenzenes Fluorobenzenes Aryl fluorides Aryl iodides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Iodobenzene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organoiodide - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available