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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-ethylhexylcarbamothioyl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(2-ethylhexylcarbamothioyl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(2-ethylhexylamino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylhexylcarbamothioyl)propanamide Traditional Name: N-(2-ethylhexylthiocarbamoyl)-3-phthalimido-propionamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCC(CC)CNC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C20H27N3O3S/c1-3-5-8-14(4-2)13-21-20(27)22-17(24)11-12-23-18(25)15-9-6-7-10-16(15)19(23)26/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H2,21,22,24,27)