3,5-dinitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(isopropylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[4-(propan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isopropylsulfamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H17N5O7S2 MolecularWeight: 467.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O7S2/c1-10(2)20-31(28,29)15-5-3-12(4-6-15)18-17(30)19-16(23)11-7-13(21(24)25)9-14(8-11)22(26)27/h3-10,20H,1-2H3,(H2,18,19,23,30)