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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

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