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

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methylphenyl)carbamothioyl]hexanamide Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-N-(o-tolylcarbamothioyl)hexanamide CAS Name: 6-(1,3-dioxo-2-isoindolyl)-N-[(2-methylanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)carbamothioyl]hexanamide Traditional Name: N-(o-tolylthiocarbamoyl)-6-phthalimido-hexanamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O3S/c1-15-9-4-7-12-18(15)23-22(29)24-19(26)13-3-2-8-14-25-20(27)16-10-5-6-11-17(16)21(25)28/h4-7,9-12H,2-3,8,13-14H2,1H3,(H2,23,24,26,29)