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

Systemtic Name: hexyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-phthalimidoacetyl)thiocarbamoylamino]benzoic acid hexyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S/c1-2-3-4-7-14-32-23(31)16-10-12-17(13-11-16)25-24(33)26-20(28)15-27-21(29)18-8-5-6-9-19(18)22(27)30/h5-6,8-13H,2-4,7,14-15H2,1H3,(H2,25,26,28,33)