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QZY

Summary
Name:3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid
Formula:C27 H24 N2 O4 S
Formal charge:0
Formula weight:472.555 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid
OpenEye OEToolkits2.0.73-[[ethyl-(phenylmethyl)carbamoyl]amino]-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccccc1Oc4ccc(c2cc(c(s2)C(O)=O)NC(=O)N(CC)Cc3ccccc3)cc4
InChIInChI1.03InChI=1S/C27H24N2O4S/c1-2-29(18-19-9-5-3-6-10-19)27(32)28-23-17-24(34-25(23)26(30)31)20-13-15-22(16-14-20)33-21-11-7-4-8-12-21/h3-17H,2,18H2,1H3,(H,28,32)(H,30,31)
InChIKeyInChI1.03QMFIMKMXDIPTKO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(O)=O)c3ccc(Oc4ccccc4)cc3
SMILESCACTVS3.385CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(O)=O)c3ccc(Oc4ccccc4)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4
SMILESOpenEye OEToolkits2.0.7CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4

227344

PDB entries from 2024-11-13

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