Compound Identification
SMILES
COC1=CC=C(NS(=O)(=O)C2=CC(NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)=C(C=C2)N2CCOCC2)C=C1
InChIKey
InChIKey=MIUFUMXRUYVJER-UHFFFAOYSA-N
Formula
C29H34N4O5S2
Mass
582.73
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
Phenylmorpholines Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Phenylpropanes Benzoic acids and derivatives Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Thioureas Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylmorpholine - Aminobenzenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Morpholine - Oxazinane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Amino acid or derivatives - Tertiary amine - Thiourea - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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