N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H16N4O6S2 MolecularWeight: 460.48354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H16N4O6S2/c24-18(13-3-1-4-15(11-13)23(25)26)22-19(30)21-14-6-8-17(9-7-14)31(27,28)20-12-16-5-2-10-29-16/h1-11,20H,12H2,(H2,21,22,24,30)