2-bromanyl-N-[[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitrophenyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]thiocarbamoyl]benzamide Formula: C22H20BrN5O5S2 MolecularWeight: 578.4587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C22H20BrN5O5S2/c1-13-7-9-18(14(2)11-13)27-35(32,33)20-12-15(28(30)31)8-10-19(20)25-26-22(34)24-21(29)16-5-3-4-6-17(16)23/h3-12,25,27H,1-2H3,(H2,24,26,29,34)