N-[[3-(2-pyridin-3-ylethynyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-(2-pyridin-3-ylethynyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-[2-(3-pyridyl)ethynyl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-[2-(3-pyridinyl)ethynyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-(2-pyridin-3-ylethynyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-[2-(3-pyridyl)ethynyl]phenyl]thiocarbamoyl]coumarilamide Formula: C23H15N3O2S MolecularWeight: 397.4491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)C#CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)C#CC4=CN=CC=C4

InChI

InChI=1S/C23H15N3O2S/c27-22(21-14-18-7-1-2-9-20(18)28-21)26-23(29)25-19-8-3-5-16(13-19)10-11-17-6-4-12-24-15-17/h1-9,12-15H,(H2,25,26,27,29)