Compound Identification
SMILES
FC1=CC=CC=C1CN(CCN1CCOCC1)C(=S)NC1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=BVDAWIFVMHYXGZ-UHFFFAOYSA-N
Formula
C21H23F4N3OS
Mass
441.49
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
Trifluoromethylbenzenes Fluorobenzenes Morpholines Aryl fluorides Trialkylamines Thioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Tertiary aliphatic amine - Thiourea - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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