Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C(=O)NC(=S)NC1=C(C=CC(Cl)=C1)N1CCOCC1
InChIKey
InChIKey=YWZDFQYWKCIIST-UHFFFAOYSA-N
Formula
C20H22ClN3O2S
Mass
403.93
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
Phenylmorpholines Benzoic acids and derivatives Aniline and substituted anilines o-Xylenes Benzoyl derivatives Dialkylarylamines Chlorobenzenes Aryl chlorides Amino acids and derivatives Thioureas Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylmorpholine - Benzoic acid or derivatives - Benzoyl - O-xylene - Xylene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Oxazinane - Aryl chloride - Aryl halide - Morpholine - Thiourea - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Amine - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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