Compound Identification
SMILES
CC(C)C1=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)C(N)=O)C=C(C)C(Br)=C1
InChIKey
InChIKey=IYFMDOFKPYXFFW-UHFFFAOYSA-N
Formula
C20H22BrN3O3S
Mass
464.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Aromatic monoterpenoids Monocyclic monoterpenoids Benzamides Cumenes Phenylpropanes Benzoyl derivatives Phenoxy compounds Phenol ethers Toluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Primary carboxylic acid amides Thioureas Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzamide - Benzoic acid or derivatives - Cumene - Phenylpropane - Phenol ether - Phenoxy compound - Benzoyl - Toluene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiourea - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available