Compound Identification
SMILES
CC(C)C(=O)NC(=S)NC1=NC(C)=C(S1)C(=O)C=CC1=CC(Br)=CC=C1
InChIKey
InChIKey=NRAFOYSMRCJGBE-UHFFFAOYSA-N
Formula
C18H18BrN3O2S2
Mass
452.39
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
Styrenes Aryl ketones 2,4,5-trisubstituted thiazoles Bromobenzenes Aryl bromides Heteroaromatic compounds Enones Acryloyl compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Styrene - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Thiazole - Azole - Ketone - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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