Compound Identification
SMILES
CC1=CC(Br)=CC(Br)=C1NC(=S)NC(NC(=O)OCC1=CC=CC=C1)C(Cl)(Cl)Cl
InChIKey
InChIKey=CBBWIASOYNWTDM-UHFFFAOYSA-N
Formula
C18H16Br2Cl3N3O2S
Mass
604.56
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
Benzyloxycarbonyls Toluenes Bromobenzenes Aryl bromides Carbamate esters Thioureas Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyloxycarbonyl - N-phenylthiourea - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Thiourea - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organosulfur compound - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Aromatic homomonocyclic 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