N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5S2/c1-25(15-16-5-3-2-4-6-16)33(30,31)20-13-9-18(10-14-20)23-22(32)24-21(27)17-7-11-19(12-8-17)26(28)29/h2-14H,15H2,1H3,(H2,23,24,27,32)