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

Systemtic Name: N-[2-(4-methylsulfanylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(4-methylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[[4-(methylthio)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(4-methylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(methylthio)benzoyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide 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=NC=C4

Isomeric SMILES

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

InChI

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