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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

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