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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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