Compound Identification
SMILES
OC(=O)C(O)=O.CC(C)(C)CN1CCC(C=C1)C1=CNC2=C1N=C(NC(=S)NC1=CC=C(C=C1)C(F)(F)F)C=C2
InChIKey
InChIKey=XXKRAKOUGDFTTI-UHFFFAOYSA-N
Formula
C27H30F3N5O4S
Mass
577.62
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 Pyrrolopyridines Tetrahydropyridines Aralkylamines Substituted pyrroles Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Thioureas Allylamines Azacyclic compounds Enamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Pyrrolopyridine - Aralkylamine - Tetrahydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Pyridine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Aromatic heteropolycyclic 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