6-methylsulfanyl-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

Systemtic Name: 6-methylsulfanyl-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide Openeye Name: 6-methylsulfanyl-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,3-dihydrobenzofuran-4-carboxamide CAS Name: 6-(methylthio)-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,3-dihydrobenzofuran-4-carboxamide IUPAC Name: 6-methylsulfanyl-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide Traditional Name: 6-(methylthio)-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]coumaran-4-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=CC=CC=C2CC1CNC(=O)C3=CC(=CC4=C3CCO4)SC

Isomeric SMILES

CCCN1CC2=CC=CC=C2C[C@H]1CNC(=O)C3=CC(=CC4=C3CCO4)SC

InChI

InChI=1S/C23H28N2O2S/c1-3-9-25-15-17-7-5-4-6-16(17)11-18(25)14-24-23(26)21-12-19(28-2)13-22-20(21)8-10-27-22/h4-7,12-13,18H,3,8-11,14-15H2,1-2H3,(H,24,26)/t18-/m0/s1