6-piperidin-4-ylsulfanyl-2H-isoquinolin-1-one

Systemtic Name: 6-piperidin-4-ylsulfanyl-2H-isoquinolin-1-one Openeye Name: 6-(4-piperidylsulfanyl)-2H-isoquinolin-1-one CAS Name: 6-(4-piperidinylthio)-2H-isoquinolin-1-one IUPAC Name: 6-piperidin-4-ylsulfanyl-2H-isoquinolin-1-one Traditional Name: 6-(4-piperidylthio)isocarbostyril Formula: C14H16N2OS MolecularWeight: 260.35464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC2=CC3=C(C=C2)C(=O)NC=C3

Isomeric SMILES

C1CNCCC1SC2=CC3=C(C=C2)C(=O)NC=C3

InChI

InChI=1S/C14H16N2OS/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)