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

Systemtic Name: ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-phthalimidoacetyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-2-28-19(27)12-7-9-13(10-8-12)21-20(29)22-16(24)11-23-17(25)14-5-3-4-6-15(14)18(23)26/h3-10H,2,11H2,1H3,(H2,21,22,24,29)