3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-morpholin-4-ylphenyl)carbamothioyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-morpholin-4-ylphenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(4-morpholinophenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]propanamide Traditional Name: N-[(4-morpholinophenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N4O4S/c27-19(9-10-26-20(28)17-3-1-2-4-18(17)21(26)29)24-22(31)23-15-5-7-16(8-6-15)25-11-13-30-14-12-25/h1-8H,9-14H2,(H2,23,24,27,31)