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EVW

Summary
Name:2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
Formula:C21 H17 N3 O S
Formal charge:0
Formula weight:359.444 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=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)
InChIKeyInChI1.03HWVRAXQZLQFQPC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4
SMILESCACTVS3.385Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N

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PDB entries from 2024-07-17

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