Compound Identification
SMILES
CCCC1CCN(CCCNC(=S)NC2=C(F)C=CC(=C2)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)CC1
InChIKey
InChIKey=GTKJXSOAANEJHD-UHFFFAOYSA-N
Formula
C29H41FN4O4S
Mass
560.73
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
Dihydropyridinecarboxylic acids and derivatives Fluorobenzenes Piperidines Aryl fluorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Dialkylamines Enamines Carbonyl compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Dihydropyridinecarboxylic acid derivative - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Hydropyridine - Piperidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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