3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-phenylsulfanylpropyl)propanamide

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-phenylsulfanylpropyl)propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(3-phenylsulfanylpropyl)propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[3-(phenylthio)propyl]propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[3-(phenylthio)propyl]propionamide Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3S/c21-14-7-8-16-17(13-14)20(26)23(19(16)25)11-9-18(24)22-10-4-12-27-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,22,24)