2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-propargyl-acetamide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC#C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC#C

InChI

InChI=1S/C18H20ClN3O2S/c1-3-5-6-10-22-17(24)14-8-7-13(19)11-15(14)21-18(22)25-12-16(23)20-9-4-2/h2,7-8,11H,3,5-6,9-10,12H2,1H3,(H,20,23)