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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c24-17(22-20(27)21-12-10-14-6-2-1-3-7-14)11-13-23-18(25)15-8-4-5-9-16(15)19(23)26/h1-9H,10-13H2,(H2,21,22,24,27)