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

Systemtic Name: propyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]benzoate Openeye Name: propyl 3-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]benzoate Traditional Name: 3-(3-phthalimidopropanoylthiocarbamoylamino)benzoic acid propyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21N3O5S/c1-2-12-30-21(29)14-6-5-7-15(13-14)23-22(31)24-18(26)10-11-25-19(27)16-8-3-4-9-17(16)20(25)28/h3-9,13H,2,10-12H2,1H3,(H2,23,24,26,31)