Compound Identification
SMILES
COC1=CC=C(C=CC(=O)NC(=S)NC2=C(N3CCCC3)C(Cl)=CC=C2)C=C1
InChIKey
InChIKey=XFXJAZBDPJRWKN-UHFFFAOYSA-N
Formula
C21H22ClN3O2S
Mass
415.94
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
Cinnamic acids and derivatives Phenylpyrrolidines Styrenes Aniline and substituted anilines Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrroles Thioureas Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - 1-phenylpyrrolidine - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Styrene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrrolidine - Pyrrole - Tertiary amine - Amino acid or derivatives - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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