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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26N4OS/c1-19-10-12-20(13-11-19)16-28-25(32)18-33-26-23-8-4-5-9-24(23)29-27(30-26)31-15-14-21-6-2-3-7-22(21)17-31/h2-13H,14-18H2,1H3,(H,28,32)