N-butan-2-yl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butan-2-yl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-sec-butyl-acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-16(4)23-20(26)13-28-22-24-19-9-7-6-8-18(19)21(27)25(22)17-11-14(2)10-15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,23,26)