Compound Identification
SMILES
COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(NC(=S)NC(=O)C=CC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=DTBDYHKVWSEXNC-UHFFFAOYSA-N
Formula
C21H18BrN5O4S2
Mass
548.43
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
Cinnamic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Styrenes Methoxypyrazines Alkyl aryl ethers Bromobenzenes Organosulfonamides Aryl bromides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Methoxypyrazine - Styrene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyrazine - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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