Compound Identification
SMILES
CCC(=O)N1CCN(CC1)C1=C(NC(=S)NC(=O)C2=CC=C(I)C=C2)C=C(Cl)C=C1
InChIKey
InChIKey=CFVUHIWOBMMDOI-UHFFFAOYSA-N
Formula
C21H22ClIN4O2S
Mass
556.85
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
-
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
Phenylpiperazines N-arylpiperazines 4-halobenzoic acids and derivatives Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Iodobenzenes Chlorobenzenes Aryl chlorides Aryl iodides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Iodobenzene - Chlorobenzene - Aryl iodide - Aryl halide - 1,4-diazinane - Aryl chloride - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Thiourea - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organochloride - 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