Compound Identification
SMILES
COC(=O)C1=C(NC(=S)NC2=C(C=C(F)C=C2)[N+]([O-])=O)SC(CC2=CC=CC=C2)=C1
InChIKey
InChIKey=XITJBAMSICQGHU-UHFFFAOYSA-N
Formula
C20H16FN3O4S2
Mass
445.48
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
Nitrobenzenes Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Nitroaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Methyl esters Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thiourea - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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