3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1-phenylethylcarbamothioyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1-phenylethylcarbamothioyl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(1-phenylethylamino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide Traditional Name: N-(1-phenylethylthiocarbamoyl)-3-phthalimido-propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-13(14-7-3-2-4-8-14)21-20(27)22-17(24)11-12-23-18(25)15-9-5-6-10-16(15)19(23)26/h2-10,13H,11-12H2,1H3,(H2,21,22,24,27)