Compound Identification
SMILES
IC1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=AOOJDOJRRDHCAW-UHFFFAOYSA-N
Formula
C25H25IN4OS
Mass
556.47
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
Phenylpiperazines N-arylpiperazines 3-halobenzoic acids and derivatives Phenylmethylamines Aniline and substituted anilines Dialkylarylamines Benzylamines Benzoyl derivatives Aralkylamines N-alkylpiperazines Iodobenzenes Aryl iodides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzylamine - Aniline or substituted anilines - Dialkylarylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Iodobenzene - Aralkylamine - N-alkylpiperazine - Piperazine - Aryl halide - Aryl iodide - 1,4-diazinane - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organoiodide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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