N-(tert-butylcarbamoyl)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(tert-butylcarbamoyl)acetamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C20H27ClN4O3S/c1-5-6-7-10-25-17(27)14-9-8-13(21)11-15(14)22-19(25)29-12-16(26)23-18(28)24-20(2,3)4/h8-9,11H,5-7,10,12H2,1-4H3,(H2,23,24,26,28)