Compound Identification
SMILES
CCCN1C=NC(NC(=S)NC2=CC=CC=C2)=C1C(=O)OCC
InChIKey
InChIKey=OSJOLBJTXNOCAX-UHFFFAOYSA-N
Formula
C16H20N4O2S
Mass
332.42
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
Carbonylimidazoles N-substituted imidazoles Imidolactams Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Imidazole-4-carbonyl group - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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