N-[[3-methoxy-4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-methoxy-4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-methoxy-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-methoxy-4-(2-thenoylamino)phenyl]thiocarbamoyl]coumarilamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17N3O4S2/c1-28-17-12-14(8-9-15(17)24-21(27)19-7-4-10-31-19)23-22(30)25-20(26)18-11-13-5-2-3-6-16(13)29-18/h2-12H,1H3,(H,24,27)(H2,23,25,26,30)