Compound Identification
SMILES
CC1=C(C=CC=C1NC(=S)NC(=O)C1=CC=C(O1)C1=CC(=CC=C1)[N+]([O-])=O)C1=NC2=CC(Cl)=CC(Cl)=C2O1
InChIKey
InChIKey=AWUDMLNHMNYXQV-UHFFFAOYSA-N
Formula
C26H16Cl2N4O5S
Mass
567.4
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
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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
Phenyl-1,3-oxazoles Benzoxazoles Nitrobenzenes Furoic acid and derivatives Nitroaromatic compounds Toluenes Aryl chlorides Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzoxazole - Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Toluene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Oxazole - Azole - C-nitro compound - Thiourea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxide - Organochloride - Organonitrogen compound - Organohalogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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