Compound Identification
SMILES
[NH3+][C@H]1CCCC[C@H]1N=C[C@@H]1C(=O)NC(=S)N(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=YREHCAYPTYHSRJ-HZSPNIEDSA-O
Formula
C17H21N4O2S
Mass
345.44
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
Thiobarbituric acid derivatives Cyclohexylamines Diazinanes 1,3-dicarbonyl compounds Quaternary ammonium salts Thioureas Shiff bases Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Cyclohexylamine - 1,3-diazinane - 1,3-dicarbonyl compound - Quaternary ammonium salt - Amino acid or derivatives - Shiff base - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Aldimine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Imine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Primary amine - Amine - Organic oxide - 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