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

Systemtic Name: 3,5-dinitro-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C19H19N5O8S2 MolecularWeight: 509.51286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)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/C19H19N5O8S2/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/h3-6,8-10,16,20H,1-2,7,11H2,(H2,21,22,25,33)