Compound Identification
SMILES
OC1=CC=CC=C1C(=O)SCC1=NC(=O)C2=C(N1)N(C(=O)N1CCCCC(C21)N1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=BHQBUGSRECSWIP-UHFFFAOYSA-N
Formula
C29H31N5O4S
Mass
545.66
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
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Subclass
Benzoic acids and derivatives
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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
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives
Direct Parent
Salicylic acid and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Azepanes Pyrimidones N-alkylpyrrolidines Heteroaromatic compounds Vinylogous amides Vinylogous acids Carbothioic S-esters Amino acids and derivatives Thioesters Trialkylamines Ureas Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Salicylic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Azepane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Aralkylamine - Pyrimidine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Vinylogous acid - Amino acid or derivatives - Carbothioic s-ester - Tertiary amine - Thiocarboxylic acid ester - Tertiary aliphatic amine - Urea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acid and derivatives. These are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof.
External Descriptors
Not available