N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]coumarilamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c25-19(18-11-13-3-1-2-4-17(13)29-18)22-20(30)21-14-5-6-15(16(12-14)24(26)27)23-7-9-28-10-8-23/h1-6,11-12H,7-10H2,(H2,21,22,25,30)