Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)NC(=S)NC1=C(C=C(I)C=C1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=FVCGWGAQJWGKKF-UHFFFAOYSA-N
Formula
C21H13BrIN3OS2
Mass
594.28
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
4-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Iodobenzenes Bromobenzenes Aryl bromides Aryl iodides Thiazoles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organoiodides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Bromobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Heteroaromatic compound - Thiazole - Azole - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Organoiodide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic 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