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94K

Summary
Name:~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide
Formula:C20 H19 Cl N2 O S
Formal charge:0
Formula weight:370.896 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyInChI1.03GEDDMFGBKRREEU-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385Cc1sc(cc1C(=O)N[C@@H](CN)c2ccccc2)c3ccccc3Cl
SMILESCACTVS3.385Cc1sc(cc1C(=O)N[CH](CN)c2ccccc2)c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3
SMILESOpenEye OEToolkits2.0.6Cc1c(cc(s1)c2ccccc2Cl)C(=O)NC(CN)c3ccccc3

218500

數據於2024-04-17公開中

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