N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(2-phenylquinazolin-4-yl)thio]acetamide Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-16-9-5-7-13-19(16)24-21(27)15-28-23-18-12-6-8-14-20(18)25-22(26-23)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,24,27)/t16-,19-/m0/s1