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

Systemtic Name: N-[2-(2-phenylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[1-oxo-2-(phenylthio)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[2-(phenylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-22(16-29-21-4-2-1-3-5-21)26-13-10-17-6-7-20(14-19(17)15-26)25-23(28)18-8-11-24-12-9-18/h1-9,11-12,14H,10,13,15-16H2,(H,25,28)