Compound Identification
SMILES
COC1=C(Br)C=C(Br)C=C1C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CS1
InChIKey
InChIKey=RCRPFOPUFASDHV-UHFFFAOYSA-N
Formula
C24H22Br2N4O3S2
Mass
638.39
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
Phenylpiperazines N-arylpiperazines 3-halobenzoic acids and derivatives 2-heteroaryl carboxamides Thiophene carboxamides Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
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 - 2-heteroaryl carboxamide - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Phenoxy compound - Anisole - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - 1,4-diazinane - Aryl bromide - Piperazine - Aryl halide - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Thiourea - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organic oxide - Organohalogen 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