Compound Identification
SMILES
CCOC(=O)NC(NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O)C(Cl)(Cl)Cl
InChIKey
InChIKey=ADOHRBVCQGCXAQ-UHFFFAOYSA-N
Formula
C12H13Cl3N4O4S
Mass
415.67
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 Carbamate esters Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Carbamic acid ester - C-nitro compound - Thiourea - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic oxide - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organic cation - 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