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

Systemtic Name: 2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)nicotinamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H21N3O2S/c1-3-17(23)22-10-8-13-6-7-15(11-14(13)12-22)21-18(24)16-5-4-9-20-19(16)25-2/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,21,24)