N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(methylthio)nicotinamide Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C20H21N3O2S/c1-26-19-17(3-2-9-21-19)18(24)22-16-7-6-13-8-10-23(12-15(13)11-16)20(25)14-4-5-14/h2-3,6-7,9,11,14H,4-5,8,10,12H2,1H3,(H,22,24)