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XJK

Summary
Name:5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
Formula:C20 H19 Cl N4 O3 S
Formal charge:0
Formula weight:430.908 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
OpenEye OEToolkits2.0.75-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydrobenzimidazol-1-yl)-~{N}-methyl-1,3-thiazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)c1sc(nc1C(=O)NC)N1CNc2cc(OC)c(OC)cc21
InChIInChI1.06InChI=1S/C20H19ClN4O3S/c1-22-19(26)17-18(11-4-6-12(21)7-5-11)29-20(24-17)25-10-23-13-8-15(27-2)16(28-3)9-14(13)25/h4-9,23H,10H2,1-3H3,(H,22,26)
InChIKeyInChI1.06XPOHWHIIYSFTPO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1nc(sc1c2ccc(Cl)cc2)N3CNc4cc(OC)c(OC)cc34
SMILESCACTVS3.385CNC(=O)c1nc(sc1c2ccc(Cl)cc2)N3CNc4cc(OC)c(OC)cc34
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)c1c(sc(n1)N2CNc3c2cc(c(c3)OC)OC)c4ccc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1c(sc(n1)N2CNc3c2cc(c(c3)OC)OC)c4ccc(cc4)Cl

248335

PDB entries from 2026-01-28

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