Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C(=S)NC1C1=CC(=CC=C1)[N+]([O-])=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=LCRHXGYCPUARTM-UHFFFAOYSA-N
Formula
C20H18FN3O4S
Mass
415.44
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
Hydropyrimidine carboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds 2-Thiopyrimidines Fluorobenzenes Pyrimidinethiones Aryl fluorides Vinylogous amides Enoate esters Thioureas Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - 2-thiopyrimidine - Halobenzene - Thiopyrimidine - Pyrimidinethione - Aryl fluoride - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Thiourea - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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