Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

O97

Summary
Name:4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
Formula:C17 H14 N2 O2 S2
Formal charge:0
Formula weight:342.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
OpenEye OEToolkits2.0.74-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(sc(cc1)C(NC2CC2)=O)c4cccc3c4cc(C(N)=O)s3
InChIInChI1.03InChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21)
InChIKeyInChI1.03QYQDTYWXMRWCEU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1
SMILESCACTVS3.385NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4
SMILESOpenEye OEToolkits2.0.7c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4

221371

PDB entries from 2024-06-19

PDB statisticsPDBj update infoContact PDBjnumon