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

Systemtic Name: N-[2-(2-methylsulfanylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-(2-methylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[[2-(methylthio)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-(2-methylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[2-(methylthio)benzoyl]-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H21N3O2S/c1-29-21-8-3-2-6-19(21)23(28)26-13-11-16-9-10-18(14-17(16)15-26)25-22(27)20-7-4-5-12-24-20/h2-10,12,14H,11,13,15H2,1H3,(H,25,27)