Chemical Components in the PDB

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GF8 : Summary

Code

GF8

One-letter code

X

Molecule name

2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide

Formula

C10 H11 Cl2 N O S

Formal charge

0

Molecular weight

264.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 SCCNC(=O)Cc1ccc(Cl)c(Cl)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CC(=O)NCCS)Cl)Cl
Canonical SMILES CACTVS 3.385 SCCNC(=O)Cc1ccc(Cl)c(Cl)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CC(=O)NCCS)Cl)Cl

IUPAC InChI

InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14)

IUPAC InChI key

ZRTLNSGWIWNTPL-UHFFFAOYSA-N
GF8

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-14

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned