Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C(=S)NC1C1=CC(=CC=C1)[N+]([O-])=O)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=SXSPXJFESCGYPC-UHFFFAOYSA-N
Formula
C21H18F3N3O4S
Mass
465.45
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 Hydropyrimidine carboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Enoate esters Thioureas Tertiary amines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Nitrobenzene - Hydropyrimidine carboxylic acid derivative - Nitroaromatic compound - Pyrimidinethione - 2-thiopyrimidine - Thiopyrimidine - Pyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - C-nitro compound - Carboxylic acid ester - Thiourea - Amino acid or derivatives - Tertiary amine - Organic nitro compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic salt - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Organic oxygen compound - Organic cation - 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