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

Systemtic Name: 2-methylpropyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]benzoate Traditional Name: 4-(3-phthalimidopropanoylthiocarbamoylamino)benzoic acid isobutyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H23N3O5S/c1-14(2)13-31-22(30)15-7-9-16(10-8-15)24-23(32)25-19(27)11-12-26-20(28)17-5-3-4-6-18(17)21(26)29/h3-10,14H,11-13H2,1-2H3,(H2,24,25,27,32)