4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-thienylmethyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(2-thenyl)butyramide Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H18N2O3S/c24-18(22-13-15-7-4-12-27-15)10-3-11-23-20(25)16-8-1-5-14-6-2-9-17(19(14)16)21(23)26/h1-2,4-9,12H,3,10-11,13H2,(H,22,24)