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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-2-3-4-9-18(25)23-21(28)22-14-10-12-15(13-11-14)24-19(26)16-7-5-6-8-17(16)20(24)27/h5-8,10-13H,2-4,9H2,1H3,(H2,22,23,25,28)