Compound Identification
SMILES
CC1=CC(Br)=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)C(N)=O)C=C1
InChIKey
InChIKey=VJOIZJREFZBDPZ-UHFFFAOYSA-N
Formula
C17H16BrN3O3S
Mass
422.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Thioureas Primary carboxylic acid amides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiourea - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - 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