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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(tert-butylcarbamothioyl)propanamide Openeye Name: N-(tert-butylcarbamothioyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(tert-butylamino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(tert-butylcarbamothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(tert-butylthiocarbamoyl)-3-phthalimido-propionamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)NC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O3S/c1-16(2,3)18-15(23)17-12(20)8-9-19-13(21)10-6-4-5-7-11(10)14(19)22/h4-7H,8-9H2,1-3H3,(H2,17,18,20,23)