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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCCSC4=CC=CC=C4

InChI

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