S-quinolin-8-yl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanethioate

Systemtic Name: S-quinolin-8-yl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanethioate Openeye Name: S-(8-quinolyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanethioate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanethioic acid S-(8-quinolinyl) ester IUPAC Name: S-quinolin-8-yl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanethioate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butanethioic acid S-(8-quinolyl) ester Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)SC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)SC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H18N2O3S/c28-21(31-20-12-3-8-17-9-4-14-26-23(17)20)13-5-15-27-24(29)18-10-1-6-16-7-2-11-19(22(16)18)25(27)30/h1-4,6-12,14H,5,13,15H2