N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S2/c1-3-12(2)21-29(26,27)16-9-7-14(8-10-16)19-18(28)20-17(23)13-5-4-6-15(11-13)22(24)25/h4-12,21H,3H2,1-2H3,(H2,19,20,23,28)