Compound Identification
SMILES
CCOC1=C(Br)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)C1=CN2C=CC=CC2N1
InChIKey
InChIKey=RDCZWUHCCIZBKM-UHFFFAOYSA-N
Formula
C23H21BrN4O2S
Mass
497.41
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 Imidazopyridines Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Dihydropyridines Bromobenzenes Aryl bromides Imidazolines Thioureas Azacyclic compounds Enamines Carboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Imidazopyridine - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Dihydropyridine - Halobenzene - Aryl bromide - Aryl halide - 4-imidazoline - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Ether - Organic oxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - 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