2-methylsulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 2-methylsulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 2-methylsulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 2-(methylthio)-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 2-methylsulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 2-(methylthio)-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C22H23N3OS/c1-27-21-8-4-3-7-17(21)22(26)24-19-9-10-20(25-13-5-2-6-14-25)16-11-12-23-15-18(16)19/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,24,26)