2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[1-(2-thienyl)ethyl]acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(1-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-[1-(2-thienyl)ethyl]acetamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC=CS3

InChI

InChI=1S/C22H27N3O2S2/c1-3-4-5-8-13-25-21(27)17-10-6-7-11-18(17)24-22(25)29-15-20(26)23-16(2)19-12-9-14-28-19/h6-7,9-12,14,16H,3-5,8,13,15H2,1-2H3,(H,23,26)