Compound Identification
SMILES
COC(=O)NC(=S)NC1=C(C(N)=C(OC[S@@](C)=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=PWEWXVKXKFNBJW-HSZRJFAPSA-N
Formula
C11H14N4O6S2
Mass
362.38
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
Nitrobenzenes Aniline and substituted anilines Phenoxy compounds Phenol ethers Nitroaromatic compounds Methylcarbamates Monothioacetals Thioureas Sulfoxides Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Monothioacetal - Methylcarbamate - Carbamic acid ester - Organic nitro compound - C-nitro compound - Sulfoxide - Thiourea - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfinyl compound - Primary amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic zwitterion - 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