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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-cyanothiophen-2-yl)butanamide Openeye Name: N-(3-cyano-2-thienyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide CAS Name: N-(3-cyano-2-thiophenyl)-4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide Traditional Name: N-(3-cyano-2-thienyl)-4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyramide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H15N3O3S/c22-12-14-9-11-28-19(14)23-17(25)8-3-10-24-20(26)15-6-1-4-13-5-2-7-16(18(13)15)21(24)27/h1-2,4-7,9,11H,3,8,10H2,(H,23,25)