N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]coumarilamide Formula: C22H14N4O3S MolecularWeight: 414.43656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C22H14N4O3S/c27-20(19-10-13-4-1-2-6-17(13)28-19)26-22(30)24-15-7-8-18-16(11-15)25-21(29-18)14-5-3-9-23-12-14/h1-12H,(H2,24,26,27,30)