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S0O

Summary
Name:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide
Formula:C21 H21 N3 O2 S
Formal charge:0
Formula weight:379.475 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.0~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H21N3O2S/c1-21(2,26-17-9-4-3-5-10-17)20(25)24-16-8-6-7-14(11-16)15-12-18(19(22)23)27-13-15/h3-13H,1-2H3,(H3,22,23)(H,24,25)
InChIKeyInChI1.06CHMMRHKUETWPKV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
SMILESCACTVS3.385CC(C)(Oc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
SMILES_CANONICALOpenEye OEToolkits3.1.0.0[H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3ccccc3)\N
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccccc3

223532

数据于2024-08-07公开中

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