Compound Identification
SMILES
COC1=C(C)C=C(Br)C=C1C(=O)NC(=S)NC1=C(Cl)C=CC(=C1)C1=NC2=C(O1)C=CC(C)=C2
InChIKey
InChIKey=QFXNSKCOBNNFKD-UHFFFAOYSA-N
Formula
C24H19BrClN3O3S
Mass
544.85
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
Phenyl-1,3-oxazoles 3-halobenzoic acids and derivatives m-Toluamides Benzoxazoles Phenoxy compounds Benzoyl derivatives Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Thioureas Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoxazole - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Bromobenzene - Chlorobenzene - Toluene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - Oxazole - Azole - Heteroaromatic compound - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - 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