2-methylpropyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-phthalimidoacetyl)thiocarbamoylamino]benzoic acid isobutyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21N3O5S/c1-13(2)12-30-21(29)14-7-9-15(10-8-14)23-22(31)24-18(26)11-25-19(27)16-5-3-4-6-17(16)20(25)28/h3-10,13H,11-12H2,1-2H3,(H2,23,24,26,31)