Compound Identification
SMILES
COC1=C(C)C=C(Br)C=C1C(=O)NC(=S)NC1=C(C)C=C(C=C1)C1=NC2=C(O1)C=CC=N2
InChIKey
InChIKey=YGGLOFLGYCFZAA-UHFFFAOYSA-N
Formula
C23H19BrN4O3S
Mass
511.39
Taxonomic Classification
Taxonomy Tree
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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
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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
Phenyl-1,3-oxazoles 3-halobenzoic acids and derivatives m-Toluamides Oxazolopyridines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Bromobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - M-toluamide - Toluamide - Benzoic acid or derivatives - 1,3-oxazolopyridine - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Anisole - Bromobenzene - Halobenzene - Alkyl aryl ether - Toluene - Aryl halide - Pyridine - Aryl bromide - Azole - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - 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