N-[(4-methylphenyl)methyl]-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[4-(phenethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[4-(phenethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[[4-(phenethylamino)quinazolin-2-yl]thio]acetamide Formula: C26H26N4OS MolecularWeight: 442.57584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-19-11-13-21(14-12-19)17-28-24(31)18-32-26-29-23-10-6-5-9-22(23)25(30-26)27-16-15-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,28,31)(H,27,29,30)