Compound Identification
SMILES
CC1=C(I)C=C(C=C1)C(=O)NC(=S)NC1=C(C)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=AASNJUQXTRGFQO-UHFFFAOYSA-N
Formula
C16H14IN3O3S
Mass
455.27
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
-
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
3-halobenzoic acids and derivatives p-Toluamides Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Iodobenzenes Aryl iodides Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - P-toluamide - Toluamide - Nitrotoluene - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Toluene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic nitro compound - Thiourea - C-nitro compound - 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 - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen 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