Compound Identification
SMILES
CCC(C)C1=CC2=C(OC(=N2)C2=CC(NC(=S)NC(=O)C3=CC=CC=C3[N+]([O-])=O)=CC=C2)C=C1
InChIKey
InChIKey=HBWWQHSXMWYJCJ-UHFFFAOYSA-N
Formula
C25H22N4O4S
Mass
474.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
Phenyl-1,3-oxazoles Benzoic acids and derivatives Benzoxazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Heteroaromatic compounds Thioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Organopnictogen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzoic acid or derivatives - Benzoxazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Oxazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic salt - Organic zwitterion - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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