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

Systemtic Name: propyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[(2-phthalimidoacetyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19N3O5S/c1-2-10-29-20(28)13-6-5-7-14(11-13)22-21(30)23-17(25)12-24-18(26)15-8-3-4-9-16(15)19(24)27/h3-9,11H,2,10,12H2,1H3,(H2,22,23,25,30)