Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NC(NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O)C(Cl)(Cl)Cl
InChIKey
InChIKey=MIBDEOFXNPTGLO-UHFFFAOYSA-N
Formula
C17H15Cl3N4O3S
Mass
461.74
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
p-Toluamides Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl chloride - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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