Compound Identification
SMILES
COC1=CC=C(CC(=O)NC(=S)NC2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=UQGOABFNVNHPDY-UHFFFAOYSA-N
Formula
C16H14ClN3O4S
Mass
379.82
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
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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
Phenylacetamides Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylacetamide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Thiourea - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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