Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)S(C)(=O)=O
InChIKey
InChIKey=BDUNHOILHMXQPP-UHFFFAOYSA-N
Formula
C20H23ClN4O4S2
Mass
483.0
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
N-arylpiperazines Phenylpiperazines 3-halobenzoic acids and derivatives Aniline and substituted anilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Organic sulfonamides Organosulfonamides Sulfonyls Amino acids and derivatives Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Phenol ether - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organic sulfonic acid amide - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary amine - Amino acid or derivatives - Thiourea - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organic oxygen compound - Organochloride - Organooxygen compound - Organohalogen 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