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

Systemtic Name: N-[2-(4-methylsulfanylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-(4-methylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[[4-(methylthio)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-(4-methylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[4-(methylthio)benzoyl]-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

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