2-[[2-(2-methylpropylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-methylpropylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-(isobutylamino)phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[2-(2-methylpropylamino)phenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[2-(2-methylpropylamino)phenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[2-(isobutylamino)benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC(C)CNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H24N4OS/c1-16(2)14-25-20-8-4-3-6-17(20)15-28-22-19(7-5-11-24-22)21(27)26-18-9-12-23-13-10-18/h3-13,16,25H,14-15H2,1-2H3,(H,23,26,27)