Compound Identification
SMILES
CC1=C(NC(=S)NC(=O)COC2=CC=CC3=CC=CC=C23)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DKEMJVHVEDULLZ-UHFFFAOYSA-N
Formula
C20H17N3O4S
Mass
395.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
Naphthalenes Nitrotoluenes Nitrobenzenes Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-acyl-phenylthiourea - Naphthalene - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Toluene - C-nitro compound - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Aromatic homopolycyclic 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