Compound Identification
SMILES
ClC(Cl)(Cl)C(NC(=S)NC1=CC=C(Br)C=C1)NC(=O)C1=CC(I)=CC=C1
InChIKey
InChIKey=ISRMQZQTPFFEQH-UHFFFAOYSA-N
Formula
C16H12BrCl3IN3OS
Mass
607.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
-
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
3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Bromobenzenes Iodobenzenes Aryl bromides Aryl iodides Thioureas Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Organobromides Organochlorides Organoiodides Organonitrogen compounds Organooxygen compounds Alkyl chlorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organochloride - Organoiodide - 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