Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=S)NC(=O)COC2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=CHNOISPISYTXJQ-UHFFFAOYSA-N
Formula
C17H15N3O5S
Mass
373.38
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
Alkyl-phenylketones Nitrophenyl ethers Acetophenones Phenoxy compounds Phenol ethers Aryl alkyl ketones Nitroaromatic compounds Benzoyl derivatives Alkyl aryl ethers Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Alkyl-phenylketone - Nitrophenyl ether - Acetophenone - Nitrobenzene - Phenylketone - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Ketone - C-nitro compound - Organic nitro compound - Thiourea - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - 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