N-(pyridin-3-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(pyridin-3-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide Openeye Name: N-(3-pyridylmethylcarbamothioyl)benzofuran-2-carboxamide CAS Name: N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-(pyridin-3-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide Traditional Name: N-(3-pyridylmethylthiocarbamoyl)coumarilamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C16H13N3O2S/c20-15(14-8-12-5-1-2-6-13(12)21-14)19-16(22)18-10-11-4-3-7-17-9-11/h1-9H,10H2,(H2,18,19,20,22)