Compound Identification
SMILES
CC1(C)CC(C)(O)N(C(=S)N1)C1=C(N)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=UNGRJSDFBFUCRO-UHFFFAOYSA-N
Formula
C13H18N4O3S
Mass
310.37
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
Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Diazinanes Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Alkanolamines Primary amines Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - 1,3-diazinane - C-nitro compound - Organic nitro compound - Thiourea - Azacycle - Alkanolamine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - 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