N-(tert-butylcarbamoyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H30N4O3S/c1-5-6-7-10-13-25-18(27)15-11-8-9-12-16(15)22-20(25)29-14-17(26)23-19(28)24-21(2,3)4/h8-9,11-12H,5-7,10,13-14H2,1-4H3,(H2,23,24,26,28)