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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(methylthio)nicotinamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-12(22)21-9-7-13-5-6-15(10-14(13)11-21)20-17(23)16-4-3-8-19-18(16)24-2/h3-6,8,10H,7,9,11H2,1-2H3,(H,20,23)