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

Systemtic Name: 2-methylsulfanyl-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-carboxamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(methylthio)nicotinamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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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=CC=C4)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S/c1-29-22-20(8-5-12-24-22)21(27)25-19-10-9-16-11-13-26(15-18(16)14-19)23(28)17-6-3-2-4-7-17/h2-10,12,14H,11,13,15H2,1H3,(H,25,27)