Compound Identification
SMILES
COC(=O)C1=C(C)N(C(=S)N[C@H]1C1=CC(=C([O-])C=C1)[N+]([O-])=O)C1=CC=CC(C)=C1
InChIKey
InChIKey=VFXAVFJLLAWOFQ-SFHVURJKSA-M
Formula
C20H18N3O5S
Mass
412.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
-
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
Nitrobenzenes Nitroaromatic compounds 2-Thiopyrimidines Toluenes Pyrimidinethiones Phenoxides Hydropyrimidines Methyl esters Vinylogous amides Enoate esters Thioureas Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Phenoxide - Pyrimidinethione - Toluene - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thiourea - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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