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

Systemtic Name: ethyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]benzoate Traditional Name: 3-(3-phthalimidopropanoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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