N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H20N4O6S2 MolecularWeight: 500.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6S2/c1-2-32-17-11-7-16(8-12-17)25-34(30,31)18-13-9-15(10-14-18)23-22(33)24-21(27)19-5-3-4-6-20(19)26(28)29/h3-14,25H,2H2,1H3,(H2,23,24,27,33)