2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-benzamide

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-benzamide Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(3-isoquinolyl)benzamide CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(3-isoquinolinyl)benzamide IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-ylbenzamide Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-(3-isoquinolyl)benzamide Formula: C22H18N4OS MolecularWeight: 386.46952

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4OS/c23-20-11-15(9-10-24-20)14-28-19-8-4-3-7-18(19)22(27)26-21-12-16-5-1-2-6-17(16)13-25-21/h1-13H,14H2,(H2,23,24)(H,25,26,27)