N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CSCC3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CSCC3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H22N2O3S/c26-22(16-29-15-17-5-2-1-3-6-17)24-20-9-8-18-10-11-25(14-19(18)13-20)23(27)21-7-4-12-28-21/h1-9,12-13H,10-11,14-16H2,(H,24,26)