N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H17N7O7S2 MolecularWeight: 531.52168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7O7S2/c1-11-7-12(2)22-19(21-11)25-36(33,34)17-5-3-14(4-6-17)23-20(35)24-18(28)13-8-15(26(29)30)10-16(9-13)27(31)32/h3-10H,1-2H3,(H,21,22,25)(H2,23,24,28,35)