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

Systemtic Name: 4-chloranyl-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[ethyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H19ClN4O5S2 MolecularWeight: 518.99306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O5S2/c1-2-26(17-6-4-3-5-7-17)34(31,32)18-11-9-16(10-12-18)24-22(33)25-21(28)15-8-13-19(23)20(14-15)27(29)30/h3-14H,2H2,1H3,(H2,24,25,28,33)