Compound Identification
SMILES
CC1=C(NC(=S)NC(=O)C2=CC=CS2)C=CC=C1[N+]([O-])=O
InChIKey
InChIKey=HYCMQJXDUPBKTG-UHFFFAOYSA-N
Formula
C13H11N3O3S2
Mass
321.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Nitrotoluenes Nitrobenzenes Thiophene carboxamides Nitroaromatic compounds Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Toluene - Thiophene - Heteroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available