Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=S)NC(=O)[C@H](C=[NH+]CC2=CC=CC=N2)C1=O
InChIKey
InChIKey=PQCHSBJANUYLHI-HNNXBMFYSA-O
Formula
C18H17N4O2S
Mass
353.42
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
Thiobarbituric acid derivatives Toluenes Pyridines and derivatives Diazinanes 1,3-dicarbonyl compounds Heteroaromatic compounds Thioureas Shiff bases Primary aldimines Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Toluene - 1,3-diazinane - Pyridine - 1,3-dicarbonyl compound - Heteroaromatic compound - Shiff base - Thiourea - Aldimine - Carboxylic acid derivative - Primary aldimine - Azacycle - Organoheterocyclic compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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