2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-prop-2-enylacetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]acetamide Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC=C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC=C

InChI

InChI=1S/C18H22BrN3O2S/c1-3-5-6-10-22-17(24)14-11-13(19)7-8-15(14)21-18(22)25-12-16(23)20-9-4-2/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3,(H,20,23)