Compound Identification
SMILES
CC1=C(C=CC=C1[N+]([O-])=O)C(=O)NC(=S)NC1=C(C=C(I)C=C1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=HYPLUYVXHYTUKE-UHFFFAOYSA-N
Formula
C22H15IN4O3S2
Mass
574.41
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
o-Toluamides Benzoic acids and derivatives Benzothiazoles Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Iodobenzenes Aryl iodides Thiazoles Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organoiodides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - 1,3-benzothiazole - O-toluamide - Toluamide - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Iodobenzene - Toluene - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Thiazole - Thiourea - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Organosulfur compound - Aromatic heteropolycyclic 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