2-[[2-[ethanoyl(methyl)amino]pyridin-4-yl]methylsulfanyl]-N-isoquinolin-3-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-[ethanoyl(methyl)amino]pyridin-4-yl]methylsulfanyl]-N-isoquinolin-3-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-[acetyl(methyl)amino]-4-pyridyl]methylsulfanyl]-N-(3-isoquinolyl)pyridine-3-carboxamide CAS Name: 2-[[2-[acetyl(methyl)amino]-4-pyridinyl]methylthio]-N-(3-isoquinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[acetyl(methyl)amino]pyridin-4-yl]methylsulfanyl]-N-isoquinolin-3-ylpyridine-3-carboxamide Traditional Name: 2-[[2-[acetyl(methyl)amino]-4-pyridyl]methylthio]-N-(3-isoquinolyl)nicotinamide Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(=O)N(C)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C24H21N5O2S/c1-16(30)29(2)22-12-17(9-11-25-22)15-32-24-20(8-5-10-26-24)23(31)28-21-13-18-6-3-4-7-19(18)14-27-21/h3-14H,15H2,1-2H3,(H,27,28,31)