N-(1-adamantyl)-2-(6-ethyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(6-ethyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(6-ethyl-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(6-ethyl-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(6-ethyl-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(6-ethyl-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C28H31N3OS MolecularWeight: 457.63024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C28H31N3OS/c1-2-18-8-9-24-23(13-18)27(30-26(29-24)22-6-4-3-5-7-22)33-17-25(32)31-28-14-19-10-20(15-28)12-21(11-19)16-28/h3-9,13,19-21H,2,10-12,14-17H2,1H3,(H,31,32)