N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide CAS Name: N-[2-[[3-(methylthio)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide Traditional Name: N-[2-[3-(methylthio)benzyl]-3,4-dihydro-1H-isoquinolin-5-yl]isonicotinamide Formula: C23H23N3OS MolecularWeight: 389.51322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCC3=C(C2)C=CC=C3NC(=O)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CCC3=C(C2)C=CC=C3NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H23N3OS/c1-28-20-6-2-4-17(14-20)15-26-13-10-21-19(16-26)5-3-7-22(21)25-23(27)18-8-11-24-12-9-18/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,25,27)