Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=RJLQIJUVDIXJLC-UHFFFAOYSA-N
Formula
C26H24BrClN4O3S
Mass
587.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
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 4-halobenzoic acids and derivatives Benzamides Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - N-arylpiperazine - Phenylpiperazine - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Piperazine - Aryl bromide - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary carboxylic acid amide - Tertiary amine - Thiourea - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen 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