Chemical Components in the PDB

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N24 : Summary

Code

N24

One-letter code

X

Molecule name

(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
OpenEye OEToolkits 1.5.0 (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxy-phenyl)-1,3-thiazolidin-4-one

Formula

C15 H11 Br Cl N O2 S

Formal charge

0

Molecular weight

384.675 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc3cc(N2C(=O)CSC2c1cc(Br)ccc1)c(O)cc3
SMILES CACTVS 3.341 Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)Br)C2N(C(=O)CS2)c3cc(ccc3O)Cl
Canonical SMILES CACTVS 3.341 Oc1ccc(Cl)cc1N2[C@@H](SCC2=O)c3cccc(Br)c3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl

IUPAC InChI

InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1

IUPAC InChI key

KEGQNJITMFBVAC-HNNXBMFYSA-N
N24

wwPDB Information

Atom count

32 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-07-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned