Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N(CN1CCOCC1)C(=O)\C2=N\NC(=S)NCC=C
InChIKey
InChIKey=FCADPKUVKYHBJO-XDJHFCHBSA-N
Formula
C17H20N6O4S
Mass
404.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indoles and derivatives
Alternative Parents
Nitroaromatic compounds Thiosemicarbazones Benzenoids Morpholines Tertiary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole or derivatives - Nitroaromatic compound - Morpholine - Oxazinane - Thiosemicarbazone - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available