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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2OS2
Molecular Weight 280.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methoxybrassenin A

SMILES

CON1C=C(CN=C(SC)SC)C2=CC=CC=C12

InChI

InChIKey=GQIAOJZSWXEICD-UHFFFAOYSA-N
InChI=1S/C13H16N2OS2/c1-16-15-9-10(8-14-13(17-2)18-3)11-6-4-5-7-12(11)15/h4-7,9H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H16N2OS2
Molecular Weight 280.409
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:08:13 GMT 2023
Edited
by admin
on Sat Dec 16 16:08:13 GMT 2023
Record UNII
8Z5NLD3GDT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methoxybrassenin A
Common Name English
N-[(1-methoxyindol-3-yl)methyl]-1,1-bis(methylsulfanyl)methanimine
Systematic Name English
Carbonimidodithioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, dimethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
8Z5NLD3GDT
Created by admin on Sat Dec 16 16:08:13 GMT 2023 , Edited by admin on Sat Dec 16 16:08:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID601142378
Created by admin on Sat Dec 16 16:08:13 GMT 2023 , Edited by admin on Sat Dec 16 16:08:13 GMT 2023
PRIMARY
PUBCHEM
101618767
Created by admin on Sat Dec 16 16:08:13 GMT 2023 , Edited by admin on Sat Dec 16 16:08:13 GMT 2023
PRIMARY
CAS
142449-74-9
Created by admin on Sat Dec 16 16:08:13 GMT 2023 , Edited by admin on Sat Dec 16 16:08:13 GMT 2023
PRIMARY