ethyl 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S2/c1-3-31-20(27)14-4-6-15(7-5-14)24-21(32)25-16-8-10-17(11-9-16)33(28,29)26-18-12-19(30-2)23-13-22-18/h4-13H,3H2,1-2H3,(H,22,23,26)(H2,24,25,32)