Compound Identification
SMILES
CC1CCN(CC1)C1=CC=CC=C1NC(=S)NC(=O)C1=C(Cl)C=CC(I)=C1
InChIKey
InChIKey=RGIKMURKOIPRRO-UHFFFAOYSA-N
Formula
C20H21ClIN3OS
Mass
513.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Phenylpiperidines 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Iodobenzenes Chlorobenzenes Aryl chlorides Aryl iodides Vinylogous halides Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperidine - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Iodobenzene - Halobenzene - Piperidine - Aryl iodide - Aryl chloride - Aryl halide - Vinylogous halide - Tertiary amine - Amino acid or derivatives - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organohalogen compound - Amine - Organochloride - Organoiodide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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