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TQ7

Summary
Name:5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide
Formula:C19 H16 Br N O S
Formal charge:0
Formula weight:386.305 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide
OpenEye OEToolkits2.0.75-bromanyl-~{N}-(diphenylmethyl)-~{N}-methyl-thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)c3
InChIInChI1.03InChI=1S/C19H16BrNOS/c1-21(19(22)16-12-13-17(20)23-16)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3
InChIKeyInChI1.03WORZHUYQQIIZTA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3
SMILESCACTVS3.385CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br
SMILESOpenEye OEToolkits2.0.7CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br

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PDB entries from 2024-07-17

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