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

Systemtic Name: N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H19N5O7S2 MolecularWeight: 481.50276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C18H19N5O7S2/c1-3-11(2)21-32(29,30)16-6-4-13(5-7-16)19-18(31)20-17(24)12-8-14(22(25)26)10-15(9-12)23(27)28/h4-11,21H,3H2,1-2H3,(H2,19,20,24,31)