Compound Identification
SMILES
COC1=C(C)C=C(Br)C=C1C(=O)NC(=S)NC1=C(C=C(Cl)C=C1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=NBPRRBFCJRRAEP-UHFFFAOYSA-N
Formula
C23H17BrClN3O2S2
Mass
546.88
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
3-halobenzoic acids and derivatives m-Toluamides Benzothiazoles Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Thiazoles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Toluene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl bromide - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic 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