N-(3-cyanophenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thio]acetamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H21N3O2S/c26-15-18-6-5-9-21(14-18)27-24(29)17-31-23-11-4-3-10-22(23)25(30)28-13-12-19-7-1-2-8-20(19)16-28/h1-11,14H,12-13,16-17H2,(H,27,29)