Compound Identification
SMILES
ClC1=C(C=CC(NC(=S)NC(=O)C2=CC=C(I)C=C2)=C1)N1CCOCC1
InChIKey
InChIKey=BAISUJLOMUWNPJ-UHFFFAOYSA-N
Formula
C18H17ClIN3O2S
Mass
501.77
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 4-halobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Chlorobenzenes Iodobenzenes Aryl chlorides Aryl iodides Amino acids and derivatives Thioureas Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organochlorides Organoiodides Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylmorpholine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - Iodobenzene - Oxazinane - Aryl chloride - Aryl halide - Aryl iodide - Morpholine - Thiourea - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Amine - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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