ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H23N5O6S2 MolecularWeight: 517.57792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC

InChI

InChI=1S/C22H23N5O6S2/c1-4-33-20(28)14-5-7-15(8-6-14)23-22(34)24-16-9-11-17(12-10-16)35(29,30)27-18-13-19(31-2)26-21(25-18)32-3/h5-13H,4H2,1-3H3,(H2,23,24,34)(H,25,26,27)