Compound Identification
SMILES
COC1=CC=C(NS(=O)(=O)C2=CC(NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C34)C3=CC=CO3)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=QEHIPXZLQGFNFV-UHFFFAOYSA-N
Formula
C28H21ClN4O5S2
Mass
593.07
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
Quinoline carboxamides Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Methoxyanilines Pyridinecarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Furans Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Quinoline-4-carboxamide - Benzenesulfonamide - Quinoline - Sulfanilide - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Pyridine - Aryl chloride - Organosulfonic acid amide - Furan - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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