N-(2,4-dimethylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(2-isopropylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(2-isopropylquinazolin-4-yl)thio]acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C)C

InChI

InChI=1S/C21H23N3OS/c1-13(2)20-23-18-8-6-5-7-16(18)21(24-20)26-12-19(25)22-17-10-9-14(3)11-15(17)4/h5-11,13H,12H2,1-4H3,(H,22,25)