Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=RIBPHPRNRIADEA-UHFFFAOYSA-N
Formula
C18H18ClN3O4S2
Mass
439.93
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
-
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 Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Organosulfonamides Morpholines Vinylogous halides Sulfonyls Thioureas Azacyclic compounds Dialkyl ethers Carboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 2-halobenzoic acid or derivatives - Benzenesulfonamide - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Oxazinane - Organosulfonic acid amide - Aryl halide - Morpholine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Thiourea - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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