N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H18N6O7S2 MolecularWeight: 518.52292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N6O7S2/c1-32-17-11-16(22-19(23-17)33-2)25-35(30,31)15-8-6-13(7-9-15)21-20(34)24-18(27)12-4-3-5-14(10-12)26(28)29/h3-11H,1-2H3,(H,22,23,25)(H2,21,24,27,34)