2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]thio]-N-phenethyl-acetamide Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=N3)SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=N3)SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS/c32-25(28-16-14-20-8-2-1-3-9-20)19-33-26-23-12-6-7-13-24(23)29-27(30-26)31-17-15-21-10-4-5-11-22(21)18-31/h1-13H,14-19H2,(H,28,32)