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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15Cl2N3O4S
Molecular Weight 404.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-N-[1-(4-chloro-1-oxobutyl)-5-nitro-2,1-benzisothiazol-3(1H)-ylidene]butanamide

SMILES

[O-][N+](=O)C1=CC=C2N(S\C(=N/C(=O)CCCCl)C2=C1)C(=O)CCCCl

InChI

InChIKey=GDBXGINJWUCJOZ-SDXDJHTJSA-N
InChI=1S/C15H15Cl2N3O4S/c16-7-1-3-13(21)18-15-11-9-10(20(23)24)5-6-12(11)19(25-15)14(22)4-2-8-17/h5-6,9H,1-4,7-8H2/b18-15-

HIDE SMILES / InChI

Molecular Formula C15H15Cl2N3O4S
Molecular Weight 404.268
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:42:51 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:51 GMT 2025
Record UNII
S79FE7NK7M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butanamide, 4-chloro-N-[1-(4-chloro-1-oxobutyl)-5-nitro-2,1-benzisothiazol-3(1H)-ylidene]-
Preferred Name English
4-Chloro-N-[1-(4-chloro-1-oxobutyl)-5-nitro-2,1-benzisothiazol-3(1H)-ylidene]butanamide
Systematic Name English
Code System Code Type Description
FDA UNII
S79FE7NK7M
Created by admin on Mon Mar 31 23:42:51 GMT 2025 , Edited by admin on Mon Mar 31 23:42:51 GMT 2025
PRIMARY
CAS
106532-65-4
Created by admin on Mon Mar 31 23:42:51 GMT 2025 , Edited by admin on Mon Mar 31 23:42:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID201030632
Created by admin on Mon Mar 31 23:42:51 GMT 2025 , Edited by admin on Mon Mar 31 23:42:51 GMT 2025
PRIMARY
PUBCHEM
13683718
Created by admin on Mon Mar 31 23:42:51 GMT 2025 , Edited by admin on Mon Mar 31 23:42:51 GMT 2025
PRIMARY