Chemical Components in the PDB

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T4Z : Summary

Code

T4Z

One-letter code

X

Molecule name

2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide

Formula

C11 H14 Cl N O S2

Formal charge

0

Molecular weight

275.818 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 SCCCNC(=O)CSc1ccc(Cl)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1SCC(=O)NCCCS)Cl
Canonical SMILES CACTVS 3.385 SCCCNC(=O)CSc1ccc(Cl)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1SCC(=O)NCCCS)Cl

IUPAC InChI

InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)

IUPAC InChI key

WUPWUIRPSWIHOS-UHFFFAOYSA-N
T4Z

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-15

Last modified at

2021-07-02

Status

Released

Obsoleted

Not Assigned