N-(4-acetamidophenyl)-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-2-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]propionamide Formula: C28H36N4O3S MolecularWeight: 508.67544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C28H36N4O3S/c1-19(2)11-7-5-6-10-18-32-27(35)24-12-8-9-13-25(24)31-28(32)36-20(3)26(34)30-23-16-14-22(15-17-23)29-21(4)33/h8-9,12-17,19-20H,5-7,10-11,18H2,1-4H3,(H,29,33)(H,30,34)