Compound Identification
SMILES
CC1=CC(C)=C(O)C(NC(=S)NC(=O)C2=C(C)C(=CC=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=JORFYQMCORAHMN-UHFFFAOYSA-N
Formula
C17H17N3O4S
Mass
359.4
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
o-Toluamides Xylenols Benzoic acids and derivatives Nitrobenzenes Nitrotoluenes m-Xylenes Para cresols Ortho cresols Benzoyl derivatives Nitroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic salts Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Xylenol - Toluamide - O-toluamide - M-xylene - Xylene - P-cresol - O-cresol - Benzoyl - Nitroaromatic compound - Phenol - Toluene - Organic nitro compound - C-nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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