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

Systemtic Name: 4-chloranyl-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H17ClN4O6S2 MolecularWeight: 520.96588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C21H17ClN4O6S2/c1-32-16-7-3-15(4-8-16)25-34(30,31)17-9-5-14(6-10-17)23-21(33)24-20(27)13-2-11-18(22)19(12-13)26(28)29/h2-12,25H,1H3,(H2,23,24,27,33)