2-(furan-2-ylcarbonyl)-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(furan-2-ylcarbonyl)-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-furanyl(oxo)methyl]-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S/c27-23(25-12-14-30-17-18-7-2-1-3-8-18)21-15-19-9-4-5-10-20(19)16-26(21)24(28)22-11-6-13-29-22/h1-11,13,21H,12,14-17H2,(H,25,27)