N-(furan-2-ylmethylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(furan-2-ylmethylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2-furylmethylcarbamothioyl)-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-furanylmethylamino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(furan-2-ylmethylcarbamothioyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2-furfurylthiocarbamoyl)-2-morpholino-5-nitro-benzamide Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NCC3=CC=CO3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H18N4O5S/c22-16(19-17(27)18-11-13-2-1-7-26-13)14-10-12(21(23)24)3-4-15(14)20-5-8-25-9-6-20/h1-4,7,10H,5-6,8-9,11H2,(H2,18,19,22,27)