Compound Identification
SMILES
CC1CCCCN1C(=S)NC1=CC(Cl)=C(Br)C=C1
InChIKey
InChIKey=SESULAAUOGCCFE-UHFFFAOYSA-N
Formula
C13H16BrClN2S
Mass
347.7
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
Chlorobenzenes Bromobenzenes Piperidines Aryl chlorides Aryl bromides Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Piperidine - Thiourea - Organoheterocyclic compound - Azacycle - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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