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

Systemtic Name: N-[2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[2-(methylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[2-(methylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CSCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H19N3O2S/c1-24-12-17(22)21-9-6-13-2-3-16(10-15(13)11-21)20-18(23)14-4-7-19-8-5-14/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,20,23)