N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]hexanamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]hexanamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]hexanamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]hexanamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-2-3-5-13-17(25)23-21(28)22-16-12-8-11-15-18(16)20(27)24(19(15)26)14-9-6-4-7-10-14/h4,6-12H,2-3,5,13H2,1H3,(H2,22,23,25,28)