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SummaryGeometryRelated PDB entries

41F

Summary
Name:N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
Formula:C17 H17 N5 O S
Formal charge:0
Formula weight:339.415 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
OpenEye OEToolkits1.9.2N-(1,2,3-benzothiadiazol-5-yl)-4-phenyl-piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N2CCN(c1ccccc1)CC2)Nc3cc4nnsc4cc3
InChIInChI1.03InChI=1S/C17H17N5OS/c23-17(18-13-6-7-16-15(12-13)19-20-24-16)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,18,23)
InChIKeyInChI1.03FFLVDHOMQBCRBY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1ccc2snnc2c1)N3CCN(CC3)c4ccccc4
SMILESCACTVS3.385O=C(Nc1ccc2snnc2c1)N3CCN(CC3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4

218853

PDB entries from 2024-04-24

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