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

Systemtic Name: 4-chloranyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H17ClN6O7S2 MolecularWeight: 552.96798

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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(=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6O7S2/c1-33-17-10-16(23-19(24-17)34-2)26-36(31,32)13-6-4-12(5-7-13)22-20(35)25-18(28)11-3-8-14(21)15(9-11)27(29)30/h3-10H,1-2H3,(H,23,24,26)(H2,22,25,28,35)