Compound Identification
SMILES
Cl.BrC1=CC=CC=C1NC(=S)NC1SC2=NC3=CC=CC=C3N2C1=O
InChIKey
InChIKey=HQVOBSQYHUZURM-UHFFFAOYSA-N
Formula
C16H12BrClN4OS2
Mass
455.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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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-phenylthioureas
Alternative Parents
Alpha amino acids and derivatives Benzimidazoles Alkylarylthioethers N-acylimidazoles Bromobenzenes Aryl bromides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylthiourea - Benzimidazole - Aryl thioether - N-acylimidazole - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiourea - Lactam - Azacycle - Organoheterocyclic compound - Thioether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available