Compound Identification
SMILES
COC1=CC=C(C=CC(=O)NC(=S)NC2=CC3=C(OC(=N3)C3=CC(Br)=C(OC)C=C3)C=C2)C=C1
InChIKey
InChIKey=JCYALAYVLGIWQO-UHFFFAOYSA-N
Formula
C25H20BrN3O4S
Mass
538.42
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
Phenyl-1,3-oxazoles Benzoxazoles Anisoles Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenyl-1,3-oxazole - Benzoxazole - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazole - Heteroaromatic compound - Azole - Thiourea - Oxacycle - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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