N-[2-methoxy-4-(2-phenylethanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methoxy-4-(2-phenylethanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methoxy-4-[(2-phenylacetyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methoxy-4-[(2-phenylacetyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methoxy-4-[(2-phenylacetyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H21N3O4S/c1-31-21-15-18(26-25(33)28-23(29)13-16-7-3-2-4-8-16)11-12-19(21)27-24(30)22-14-17-9-5-6-10-20(17)32-22/h2-12,14-15H,13H2,1H3,(H,27,30)(H2,26,28,29,33)