Compound Identification
SMILES
CCOC1=C(Br)C=C(C=C1)C(=O)NC(=S)NC1=C(C)C=CC(=C1)C1=NN2C(C)=NN=C2S1
InChIKey
InChIKey=RFZJVSLJHUHNIF-UHFFFAOYSA-N
Formula
C21H19BrN6O2S2
Mass
531.45
Taxonomic Classification
Taxonomy Tree
-
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
3-halobenzoic acids and derivatives Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Toluenes Aryl bromides Heteroaromatic compounds Triazoles Thiadiazoles Thioureas Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds 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 - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Toluene - Aryl bromide - Aryl halide - Azole - Thiadiazole - 1,2,4-triazole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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