N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C21H20N6O6S2 MolecularWeight: 516.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N6O6S2/c1-13-11-14(2)23-20(22-13)26-35(31,32)18-9-3-15(4-10-18)24-21(34)25-19(28)12-33-17-7-5-16(6-8-17)27(29)30/h3-11H,12H2,1-2H3,(H,22,23,26)(H2,24,25,28,34)