Compound Identification
SMILES
BrC1=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC2=NC=CS2)C=CC2=CC=CC=C12
InChIKey
InChIKey=PSTAFOJQTSQHDI-UHFFFAOYSA-N
Formula
C22H17BrN4O4S3
Mass
577.49
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
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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
Naphthalenes Benzenesulfonamides Benzenesulfonyl compounds Phenol ethers Alkyl aryl ethers Organosulfonamides Aryl bromides Thiazoles Aminosulfonyl compounds Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Naphthalene - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Organosulfonic acid amide - Azole - Thiazole - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiourea - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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