N-(5-chloranylpyridin-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-2-3-4-7-12-26-20(28)16-8-5-6-9-17(16)24-21(26)29-14-19(27)25-18-11-10-15(22)13-23-18/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,23,25,27)