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DF6

Summary
Name:N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide
Formula:C26 H23 N3 O4 S
Formal charge:0
Formula weight:473.544 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide
OpenEye OEToolkits1.7.6N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(=S)Nc3ccc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)Cc4ccccc4
InChIInChI1.03InChI=1S/C26H23N3O4S/c1-31-23-15-20-21(16-24(23)32-2)27-13-12-22(20)33-19-10-8-18(9-11-19)28-26(34)29-25(30)14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,28,29,30,34)
InChIKeyInChI1.03BRXZUOJFGVQTAB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC
SMILESCACTVS3.370COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4
SMILESOpenEye OEToolkits1.7.6COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4

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PDB entries from 2024-07-10

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