Compound Identification
SMILES
COC(=O)C(=O)C(=C\NC(=S)NCCC1=CC(OC)=C(OC)C=C1)\C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NSJUSQJBBLHWTD-GHRIWEEISA-N
Formula
C23H23N3O8S
Mass
501.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Dimethoxybenzenes Nitrobenzenes Phenoxy compounds Anisoles Aryl ketones Benzoyl derivatives Nitroaromatic compounds Gamma-keto acids and derivatives Alkyl aryl ethers Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Alpha-keto acids and derivatives Acryloyl compounds Vinylogous amides Enones Methyl esters Thioureas Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Butyrophenone - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Phenol ether - Aryl ketone - Gamma-keto acid - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Benzoyl - Alkyl aryl ether - Fatty acid ester - Keto acid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-keto acid - Fatty acyl - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Methyl ester - Thiourea - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available