N-[[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitrophenyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]thiocarbamoyl]-2-furamide Formula: C20H19N5O6S2 MolecularWeight: 489.52476

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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=CO3)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=CO3)C

InChI

InChI=1S/C20H19N5O6S2/c1-12-5-7-15(13(2)10-12)24-33(29,30)18-11-14(25(27)28)6-8-16(18)22-23-20(32)21-19(26)17-4-3-9-31-17/h3-11,22,24H,1-2H3,(H2,21,23,26,32)