Compound Identification
SMILES
CC1=NN=C2SC(=NN12)C1=CC(NC(=S)NC(=O)C2=C(Cl)C=CC(I)=C2)=C(C)C=C1
InChIKey
InChIKey=VYRFTOBBFNGBQE-UHFFFAOYSA-N
Formula
C19H14ClIN6OS2
Mass
568.84
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
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Toluenes Iodobenzenes Chlorobenzenes Aryl chlorides Aryl iodides Vinylogous halides Triazoles Thiadiazoles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Iodobenzene - Toluene - Aryl chloride - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Vinylogous halide - Thiadiazole - 1,2,4-triazole - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organopnictogen 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