Compound Identification
SMILES
CC[S@](=O)C1=C(N)C=CC(NC(=S)NC(=O)OC)=C1[N+]([O-])=O
InChIKey
InChIKey=YBSCPWDQNSYFMX-QFIPXVFZSA-N
Formula
C11H14N4O5S2
Mass
346.38
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
Phenyl sulfoxides Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Methylcarbamates Thioureas Sulfoxides Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Primary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Phenyl sulfoxide - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Methylcarbamate - Carbamic acid ester - C-nitro compound - Sulfoxide - Organic nitro compound - Thiourea - Organic oxoazanium - Organic 1,3-dipolar compound - Sulfinyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organic oxygen 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