N-[2-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[[4-(methylthio)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[4-(methylthio)benzyl]-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

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