Compound Identification
SMILES
CCN(CC)C1=CC=C(NC(=S)NC(=O)C2=C(Cl)C3=C(S2)C=C(OC)C=C3)C=C1
InChIKey
InChIKey=UXVWFIQKXFEKPZ-UHFFFAOYSA-N
Formula
C21H22ClN3O2S2
Mass
448.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
1-benzothiophenes Thiophene carboxamides Dialkylarylamines Anisoles Aniline and substituted anilines Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Thioureas Amino acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - 1-benzothiophene - Benzothiophene - Anisole - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Thiourea - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Amine - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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