N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(3-phthalimidophenyl)thiocarbamoyl]valeramide Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O3S/c1-2-3-11-17(24)22-20(27)21-13-7-6-8-14(12-13)23-18(25)15-9-4-5-10-16(15)19(23)26/h4-10,12H,2-3,11H2,1H3,(H2,21,22,24,27)