Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCCC1
InChIKey
InChIKey=CGFIXLKUPJOGJO-UHFFFAOYSA-N
Formula
C22H20N4O4S
Mass
436.49
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
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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
Phenylpyrrolidines Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Furoic acid and derivatives Pyrroles Heteroaromatic compounds Thioureas Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 1-phenylpyrrolidine - Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyrrole - Furan - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Thiourea - Organic nitro compound - C-nitro compound - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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