Chemical Components in the PDB

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K6W : Summary

Code

K6W

One-letter code

X

Molecule name

4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide

Formula

C18 H16 N2 S

Formal charge

0

Molecular weight

292.398 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cc2c(cc(s2)C(=N)N)c3ccccc3
Canonical SMILES CACTVS 3.385 NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N

IUPAC InChI

InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)

IUPAC InChI key

NINSVBHVKFSPEZ-UHFFFAOYSA-N
K6W

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-30

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned