Compound Identification
SMILES
CCN1CCN(CC1)[N+]1=NOC(=C1)\N=C(/[O-])CCSC(=O)C1=CC=CC=C1
InChIKey
InChIKey=JAZDBUKGFWXSOD-UHFFFAOYSA-N
Formula
C18H23N5O3S
Mass
389.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives N-alkylpiperazines 1,2,3-oxadiazoles Heteroaromatic compounds Trialkylamines Thioesters Amino acids and derivatives Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboximidic acids Organooxygen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - N-alkylpiperazine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Oxadiazole - 1,2,3-oxadiazole - Amino acid or derivatives - Tertiary amine - Thiocarboxylic acid ester - Tertiary aliphatic amine - Carbothioic s-ester - Sulfenyl compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Carboximidic acid - Azacycle - Oxacycle - Carboximidic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available