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

Systemtic Name: 2-methylsulfanyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]nicotinamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C21H19N3O2S2/c1-27-20-17(4-2-9-22-20)19(25)23-16-7-6-14-8-10-24(13-15(14)12-16)21(26)18-5-3-11-28-18/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,25)