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OBY

Summary
Name:5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide
Formula:C18 H16 N2 O2 S2
Formal charge:0
Formula weight:356.462 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide
OpenEye OEToolkits2.0.75-(2-acetamido-1-benzothiophen-4-yl)-~{N}-cyclopropyl-thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C1CC1)C(=O)c2ccc(s2)c3cccc4sc(cc34)NC(C)=O
InChIInChI1.03InChI=1S/C18H16N2O2S2/c1-10(21)19-17-9-13-12(3-2-4-14(13)24-17)15-7-8-16(23-15)18(22)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,19,21)(H,20,22)
InChIKeyInChI1.03VAHDZEQDAMISFZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1
SMILESCACTVS3.385CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4

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PDB entries from 2024-07-17

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