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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propionamide Formula: C23H15BrN2O3S MolecularWeight: 479.3458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C#CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C#CC4=CC=CS4

InChI

InChI=1S/C23H15BrN2O3S/c24-16-7-9-19-20(14-16)23(29)26(22(19)28)11-10-21(27)25-17-4-1-3-15(13-17)6-8-18-5-2-12-30-18/h1-5,7,9,12-14H,10-11H2,(H,25,27)