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

Systemtic Name: hexyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]benzoate Traditional Name: 4-(3-phthalimidopropanoylthiocarbamoylamino)benzoic acid hexyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H27N3O5S/c1-2-3-4-7-16-33-24(32)17-10-12-18(13-11-17)26-25(34)27-21(29)14-15-28-22(30)19-8-5-6-9-20(19)23(28)31/h5-6,8-13H,2-4,7,14-16H2,1H3,(H2,26,27,29,34)