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RFM

Summary
Name:N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
Formula:C26 H21 N5 O2 S
Formal charge:0
Formula weight:467.542 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
OpenEye OEToolkits1.9.2N-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c(cccc4)nn5
InChIInChI1.03InChI=1S/C26H21N5O2S/c32-25(17-31-24-9-5-4-8-23(24)28-29-31)30(16-19-14-15-34-18-19)22-12-10-21(11-13-22)27-26(33)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,27,33)
InChIKeyInChI1.03WHSQOXMSNUWORU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)c5ccccc5)cc4
SMILESCACTVS3.385O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)c5ccccc5)cc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4

217705

PDB entries from 2024-03-27

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