Compound Identification
SMILES
ClC1=C(C=C(I)C=C1)C(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=C(O1)C=CC1=CC=CC=C21
InChIKey
InChIKey=NTFFZXKYXIGAIG-UHFFFAOYSA-N
Formula
C25H15ClIN3O2S
Mass
583.83
Taxonomic Classification
Taxonomy Tree
-
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
Phenyl-1,3-oxazoles 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Naphthalenes Benzoxazoles Benzoyl derivatives Chlorobenzenes Iodobenzenes Aryl iodides Aryl chlorides Heteroaromatic compounds Vinylogous halides Thioureas Carboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organoiodides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Naphthalene - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoxazole - Benzoyl - Chlorobenzene - Iodobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl iodide - Azole - Oxazole - Vinylogous halide - Heteroaromatic compound - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organoiodide - Organohalogen compound - Organochloride - 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