propan-2-yl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: isopropyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S2/c1-14(2)30-19(27)15-4-6-16(7-5-15)24-21(31)25-17-8-10-18(11-9-17)32(28,29)26-20-22-12-3-13-23-20/h3-14H,1-2H3,(H,22,23,26)(H2,24,25,31)