dipropan-2-yl 5-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-fluorobenzyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H25FN2O4S MolecularWeight: 432.508303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)F)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)F)C(=O)OC(C)C

InChI

InChI=1S/C22H25FN2O4S/c1-13(2)28-20(26)16-9-17(21(27)29-14(3)4)11-19(10-16)25-22(30)24-12-15-5-7-18(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H2,24,25,30)