N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[ethyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H19N5O7S2 MolecularWeight: 529.54556

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O7S2/c1-2-25(17-6-4-3-5-7-17)36(33,34)20-10-8-16(9-11-20)23-22(35)24-21(28)15-12-18(26(29)30)14-19(13-15)27(31)32/h3-14H,2H2,1H3,(H2,23,24,28,35)