N-[4-[4-(oxidanylcarbamoyl)phenyl]but-3-ynyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[4-(oxidanylcarbamoyl)phenyl]but-3-ynyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]benzothiophene-2-carboxamide CAS Name: N-[4-[4-[(hydroxyamino)-oxomethyl]phenyl]but-3-ynyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]benzothiophene-2-carboxamide Formula: C20H16N2O3S MolecularWeight: 364.41764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NCCC#CC3=CC=C(C=C3)C(=O)NO

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)NCCC#CC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C20H16N2O3S/c23-19(22-25)15-10-8-14(9-11-15)5-3-4-12-21-20(24)18-13-16-6-1-2-7-17(16)26-18/h1-2,6-11,13,25H,4,12H2,(H,21,24)(H,22,23)