N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-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/c1-2-32-19-10-6-17(7-11-19)25-34(30,31)20-12-8-16(9-13-20)23-22(33)24-21(27)15-4-3-5-18(14-15)26(28)29/h3-14,25H,2H2,1H3,(H2,23,24,27,33)