Compound Identification
SMILES
ClC1=CC=CC(C(=O)NC(=S)NC2=CC=C(CN3CCCC3)C=C2)=C1Cl
InChIKey
InChIKey=KCBJKANTANXWLJ-UHFFFAOYSA-N
Formula
C19H19Cl2N3OS
Mass
408.34
Taxonomic Classification
Taxonomy Tree
-
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
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Phenylmethylamines Dichlorobenzenes Benzylamines Benzoyl derivatives Aralkylamines N-alkylpyrrolidines Aryl chlorides Vinylogous halides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,2-dichlorobenzene - Phenylmethylamine - Benzoyl - Benzylamine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - N-alkylpyrrolidine - Pyrrolidine - Vinylogous halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - 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