2-(furan-2-ylcarbonyl)-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(furan-2-ylcarbonyl)-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-furanyl(oxo)methyl]-N-[3-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-furoyl)-N-[3-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C22H20N2O3S/c1-28-18-9-4-8-17(13-18)23-21(25)19-12-15-6-2-3-7-16(15)14-24(19)22(26)20-10-5-11-27-20/h2-11,13,19H,12,14H2,1H3,(H,23,25)