Compound Identification
SMILES
ClC1=CC=CC(C2=CC=C(O2)C(=O)NC(=S)NC2=CC(Cl)=C(C=C2)N2CCN(CC3=CC=CC=C3Cl)CC2)=C1Cl
InChIKey
InChIKey=FDGTXPQRYUHFFR-UHFFFAOYSA-N
Formula
C29H24Cl4N4O2S
Mass
634.4
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
N-arylpiperazines Phenylpiperazines Benzylamines Dialkylarylamines Dichlorobenzenes Furoic acid and derivatives Aniline and substituted anilines Phenylmethylamines N-alkylpiperazines Aralkylamines Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Thioureas Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzylamine - 1,2-dichlorobenzene - Phenylmethylamine - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - 1,4-diazinane - Aryl chloride - Piperazine - Aryl halide - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - 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