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EWK

Summary
Name:4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide
Formula:C22 H19 N3 O S2
Formal charge:0
Formula weight:405.536 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H19N3OS2/c23-22-25-19-11-10-18(12-20(19)28-22)27-14-16-6-8-17(9-7-16)21(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,23,25)(H,24,26)
InChIKeyInChI1.03SHIMUUKQGMXWNC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1
SMILESCACTVS3.385Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N

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PDB entries from 2024-07-17

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