N-(3-ethanoylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H17N3O2S2/c1-14(26)15-6-4-7-16(12-15)23-20(27)13-29-22-17-8-2-3-9-18(17)24-21(25-22)19-10-5-11-28-19/h2-12H,13H2,1H3,(H,23,27)