3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2,6-diethylphenyl)carbamothioyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2,6-diethylphenyl)carbamothioyl]propanamide Openeye Name: N-[(2,6-diethylphenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(2,6-diethylanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(2,6-diethylphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(2,6-diethylphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O3S/c1-3-14-8-7-9-15(4-2)19(14)24-22(29)23-18(26)12-13-25-20(27)16-10-5-6-11-17(16)21(25)28/h5-11H,3-4,12-13H2,1-2H3,(H2,23,24,26,29)