Compound Identification
SMILES
CC(=O)N[C@H](NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O)C(Cl)(Cl)Cl
InChIKey
InChIKey=DYMLKNCJEMMPPO-SECBINFHSA-N
Formula
C11H11Cl3N4O3S
Mass
385.64
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
Nitrobenzenes Nitroaromatic compounds Acetamides Thioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Thiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl chloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic zwitterion - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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