Compound Identification
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)COC3=CC(C)=C(Br)C=C3)C=C2)=NO1
InChIKey
InChIKey=ZIIDVPNFZTULGC-UHFFFAOYSA-N
Formula
C20H19BrN4O5S2
Mass
539.42
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
Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Bromobenzenes Aryl bromides Organosulfonamides Imidolactams Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Imidolactam - Azole - Aminosulfonyl compound - Sulfonyl - Isoxazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiourea - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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