N-(2,6-diethylphenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN(C)C

InChI

InChI=1S/C23H28N4OS/c1-5-16-10-9-11-17(6-2)22(16)26-21(28)15-29-23-18-12-7-8-13-19(18)24-20(25-23)14-27(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,26,28)