Compound Identification
SMILES
COC1=C(CN(C(O)=O)C(O)=O)C(OC)=C(NC(N)=S)C=C1
InChIKey
InChIKey=URZLYWUTRSUJAP-UHFFFAOYSA-N
Formula
C12H15N3O6S
Mass
329.33
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
Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Alkyl aryl ethers Thioureas Carbamic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Dimethoxybenzene - M-dimethoxybenzene - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Thiourea - Carbamic acid derivative - Carbamic acid - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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