Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)NC1=NC(=CS1)C1=CC(=CS1)[N+]([O-])=O
InChIKey
InChIKey=DDKFPDXURIMPOW-UHFFFAOYSA-N
Formula
C18H18N4O3S2
Mass
402.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Aminobenzoic acids and derivatives
Alternative Parents
3-nitrothiophenes Benzamides Aniline and substituted anilines Nitroaromatic compounds Dialkylarylamines Benzoyl derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - 3-nitrothiophene - Nitrothiophene - Benzamide - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Thiazole - Thiophene - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available