N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]acetamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)CSCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)CSCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H29N3OS/c1-27-14-7-12-23(27)24(28-15-13-21-10-5-6-11-22(21)17-28)16-26-25(29)19-30-18-20-8-3-2-4-9-20/h2-12,14,24H,13,15-19H2,1H3,(H,26,29)