Chemical Components in the PDB

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EVW : Summary

Code

EVW

One-letter code

X

Molecule name

2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide

Formula

C21 H17 N3 O S

Formal charge

0

Molecular weight

359.444 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N
Canonical SMILES CACTVS 3.385 Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N

IUPAC InChI

InChI=1S/C21H17N3OS/c22-21-23-17-12-11-16(13-18(17)26-21)20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,22,23)(H,24,25)

IUPAC InChI key

HWVRAXQZLQFQPC-UHFFFAOYSA-N
EVW

wwPDB Information

Atom count

43 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-25

Last modified at

2019-03-29

Status

Released

Obsoleted

Not Assigned