Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=ODIWESGVCSPACX-UHFFFAOYSA-N
Formula
C20H19F3N4O4S
Mass
468.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Phenylmorpholines Trifluoromethylbenzenes p-Toluamides Benzoic acids and derivatives Nitrobenzenes Nitrotoluenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Amino acids and derivatives Thioureas Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylmorpholine - Trifluoromethylbenzene - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - P-toluamide - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Toluene - Morpholine - Oxazinane - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Tertiary amine - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available