Compound Identification
SMILES
CC1=NN=C2SC(=NN12)C1=CC(NC(=S)NC(=O)C2=CC=C(O2)C2=CC=CC=C2[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=RNKPPUBYFJMJPA-UHFFFAOYSA-N
Formula
C22H15N7O4S2
Mass
505.53
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
Nitrobenzenes Furoic acid and derivatives Nitroaromatic compounds Triazoles Thiadiazoles Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Azole - Furan - Heteroaromatic compound - Thiadiazole - 1,2,4-triazole - C-nitro compound - Thiourea - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - 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