N-(3-acetamidophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(2-isopropylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[(2-isopropylquinazolin-4-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-13(2)20-24-18-10-5-4-9-17(18)21(25-20)28-12-19(27)23-16-8-6-7-15(11-16)22-14(3)26/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)