Compound Identification
SMILES
CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=PRNRQLPEROJQHH-UHFFFAOYSA-N
Formula
C12H12N4O3S
Mass
292.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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 Nitroaromatic compounds Benzonitriles Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Carboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrobenzene - Benzonitrile - Nitroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Carbonyl group - Organic cation - 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