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

Systemtic Name: ethyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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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=NC(=CC(=N3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S2/c1-4-31-20(28)16-5-7-17(8-6-16)25-22(32)26-18-9-11-19(12-10-18)33(29,30)27-21-23-14(2)13-15(3)24-21/h5-13H,4H2,1-3H3,(H,23,24,27)(H2,25,26,32)