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

Systemtic Name: 4-chloranyl-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H19ClN4O6S2 MolecularWeight: 534.99246

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O6S2/c1-2-33-17-8-4-16(5-9-17)26-35(31,32)18-10-6-15(7-11-18)24-22(34)25-21(28)14-3-12-19(23)20(13-14)27(29)30/h3-13,26H,2H2,1H3,(H2,24,25,28,34)