Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

ZQ9

Summary
Name:4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
Formula:C15 H17 N3 O2 S2
Formal charge:0
Formula weight:335.444 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
OpenEye OEToolkits2.0.74-thiophen-2-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1
InChIInChI1.06InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20)
InChIKeyInChI1.06SEJPAIIMDWAFGL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3
SMILESCACTVS3.385O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3
SMILESOpenEye OEToolkits2.0.7c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon