Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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