Chemical Components in the PDB

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KT6 : Summary

Code

KT6

One-letter code

X

Molecule name

4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide

Formula

C9 H9 Cl2 N O2 S

Formal charge

0

Molecular weight

266.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCCNC(=O)c1cc(Cl)c(Cl)cc1S
SMILES OpenEye OEToolkits 2.0.7 c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO
Canonical SMILES CACTVS 3.385 OCCNC(=O)c1cc(Cl)c(Cl)cc1S
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO

IUPAC InChI

InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14)

IUPAC InChI key

QAWZKMJXXMSMKK-UHFFFAOYSA-N
KT6

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-07

Last modified at

2023-06-09

Status

Released

Obsoleted

Not Assigned