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

Systemtic Name: cyclohexyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-phthalimidoacetyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H23N3O5S/c28-20(14-27-21(29)18-8-4-5-9-19(18)22(27)30)26-24(33)25-16-12-10-15(11-13-16)23(31)32-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H2,25,26,28,33)