Compound Identification
SMILES
COC(=O)NC(=S)NC1=C(F)C=C(C=C1)N1C[C@H](CNC(C)=S)OC1=O
InChIKey
InChIKey=LKKZLPKIKQQDJN-JTQLQIEISA-N
Formula
C15H17FN4O4S2
Mass
400.44
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
Fluorobenzenes Oxazolidinones Aryl fluorides Thioamides Methylcarbamates Thioureas Thiocarboxylic acid amides Oxacyclic compounds Azacyclic compounds Thiocarbonyl compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Carbamic acid ester - Thioamide - Methylcarbamate - Oxazolidine - Thiourea - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Oxacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Thiocarbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic 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