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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C20H27ClN4O3S/c1-12(2)8-9-25-17(27)14-7-6-13(21)10-15(14)22-19(25)29-11-16(26)23-18(28)24-20(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H2,23,24,26,28)