Compound Identification
SMILES
COC1=CC=C(C=CC(=O)NC(=S)NC2=C(I)C=C(Br)C=C2)C=C1
InChIKey
InChIKey=FGJAMLIYZGWOFU-UHFFFAOYSA-N
Formula
C17H14BrIN2O2S
Mass
517.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Phenoxy compounds Methoxybenzenes Anisoles Iodobenzenes Bromobenzenes Alkyl aryl ethers N-acyl amines Vinyl iodides Vinyl bromides Iodoalkenes Carboxylic acids and derivatives Bromoalkenes Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Iodobenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - N-acyl-amine - Iodoalkene - Bromoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl bromide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen 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