N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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