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462

Summary
Name:N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
Formula:C22 H22 Cl N3 O2 S
Formal charge:0
Formula weight:427.947 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-carbamimidoyl-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-3-yl]acetamide
OpenEye OEToolkits1.5.0N-carbamimidoyl-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-3-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3ccccc3c2scc(c1ccc(OCCC)cc1)c2CC(=O)NC(=[N@H])N
SMILES_CANONICALCACTVS3.341CCCOc1ccc(cc1)c2csc(c2CC(=O)NC(N)=N)c3ccccc3Cl
SMILESCACTVS3.341CCCOc1ccc(cc1)c2csc(c2CC(=O)NC(N)=N)c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC
SMILESOpenEye OEToolkits1.5.0[H]N=C(N)NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC
InChIInChI1.03InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)
InChIKeyInChI1.03VZSMTBLDWPKVRW-UHFFFAOYSA-N

227344

數據於2024-11-13公開中

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