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YDI

Summary
Name:5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE
Formula:C16 H20 N4 O3 S
Formal charge:0
Formula weight:348.42 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(carbamoylamino)-5-{4-[2-(dimethylamino)ethoxy]phenyl}thiophene-3-carboxamide
OpenEye OEToolkits1.7.02-(aminocarbonylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]thiophene-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1sc(cc1C(=O)N)c2ccc(OCCN(C)C)cc2)N
SMILES_CANONICALCACTVS3.370CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O
SMILESCACTVS3.370CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
SMILESOpenEye OEToolkits1.7.0CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
InChIInChI1.03InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)
InChIKeyInChI1.03RFSVVCBVIFWEMZ-UHFFFAOYSA-N

226707

PDB entries from 2024-10-30

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