N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide Openeye Name: N-(3-isoquinolyl)-2-(4-pyridylmethylsulfanyl)benzamide CAS Name: N-(3-isoquinolinyl)-2-(pyridin-4-ylmethylthio)benzamide IUPAC Name: N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide Traditional Name: N-(3-isoquinolyl)-2-(4-pyridylmethylthio)benzamide Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3SCC4=CC=NC=C4

InChI

InChI=1S/C22H17N3OS/c26-22(25-21-13-17-5-1-2-6-18(17)14-24-21)19-7-3-4-8-20(19)27-15-16-9-11-23-12-10-16/h1-14H,15H2,(H,24,25,26)