Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=CC=CC=C1Cl
InChIKey
InChIKey=PYKWOACGIFTMPW-UHFFFAOYSA-N
Formula
C18H12ClN3O4S
Mass
401.82
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
Nitrobenzenes Furoic acid and derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Thiourea - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic zwitterion - Organochloride - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Organic salt - 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