Compound Identification
SMILES
Cl.ClC1=CC=CC(NC(=S)NC2SC3=NC4=CC=CC=C4N3C2=O)=C1
InChIKey
InChIKey=NNGNBMIFTUJVFB-UHFFFAOYSA-N
Formula
C16H12Cl2N4OS2
Mass
411.32
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 Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylthiourea - Benzimidazole - Aryl thioether - N-acylimidazole - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - 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 - Organochloride - 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