2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H24N2O2S/c25-21(23-12-5-6-13-23)16-27-20-10-4-3-9-19(20)22(26)24-14-11-17-7-1-2-8-18(17)15-24/h1-4,7-10H,5-6,11-16H2