N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H15N5O8S2 MolecularWeight: 505.4811

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O8S2/c25-18(12-8-14(23(26)27)10-15(9-12)24(28)29)22-19(33)21-13-3-5-17(6-4-13)34(30,31)20-11-16-2-1-7-32-16/h1-10,20H,11H2,(H2,21,22,25,33)