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A1AP0

Summary
Name:N-[10-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]furan-3-carboxamide
Formula:C21 H18 N2 O4 S
Formal charge:0
Formula weight:394.444 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[10-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]furan-3-carboxamide
OpenEye OEToolkits2.0.7~{N}-[5-(2-methoxyethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl]furan-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc2N(CCOC)C(=O)c3ccccc3Sc2c1)c1ccoc1
InChIInChI1.06InChI=1S/C21H18N2O4S/c1-26-11-9-23-17-7-6-15(22-20(24)14-8-10-27-13-14)12-19(17)28-18-5-3-2-4-16(18)21(23)25/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)
InChIKeyInChI1.06TVLKVTPWFJYRNA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCN1C(=O)c2ccccc2Sc3cc(NC(=O)c4cocc4)ccc13
SMILESCACTVS3.385COCCN1C(=O)c2ccccc2Sc3cc(NC(=O)c4cocc4)ccc13
SMILES_CANONICALOpenEye OEToolkits2.0.7COCCN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)c4ccoc4
SMILESOpenEye OEToolkits2.0.7COCCN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)c4ccoc4

250359

PDB entries from 2026-03-11

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