Compound Identification
SMILES
O=C(NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CO1)C1=CC=CO1
InChIKey
InChIKey=JJJLEMSYRXLDMV-UHFFFAOYSA-N
Formula
C21H20N4O4S
Mass
424.48
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
Phenylpiperazines N-arylpiperazines Furoic acid and derivatives Dialkylarylamines Aniline and substituted anilines 2-heteroaryl carboxamides Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 2-heteroaryl carboxamide - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 1,4-diazinane - Piperazine - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiourea - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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