Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

SN4 : Summary

Code

SN4

One-letter code

X

Molecule name

6-methoxypyridine-3-carbothioamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-methoxypyridine-3-carbothioamide

Formula

C7 H8 N2 O S

Formal charge

0

Molecular weight

168.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cn1)C(N)=S
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cn1)C(=S)N
Canonical SMILES CACTVS 3.385 COc1ccc(cn1)C(N)=S
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cn1)C(=S)N

IUPAC InChI

InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)

IUPAC InChI key

YAKXWVMVPOHRGZ-UHFFFAOYSA-N
SN4

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned