Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)NC(=S)NC1=CC(=CC(Cl)=C1O)[N+]([O-])=O
InChIKey
InChIKey=HAZDEMXCHJOGCL-UHFFFAOYSA-N
Formula
C16H14ClN3O6S
Mass
411.81
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
Dimethoxybenzenes Nitrophenols Benzoic acids and derivatives Nitrobenzenes Phenoxy compounds Anisoles Benzoyl derivatives O-chlorophenols Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic zwitterions Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrophenol - Dimethoxybenzene - M-dimethoxybenzene - Nitrobenzene - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - 2-chlorophenol - 2-halophenol - Phenol ether - Benzoyl - Anisole - Methoxybenzene - Phenol - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Thiourea - Organic nitro compound - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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