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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-isopentyl-acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-isoamyl-acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S/c1-4-5-6-9-14-24-20(26)17-10-7-8-11-18(17)23-21(24)27-15-19(25)22-13-12-16(2)3/h7-8,10-11,16H,4-6,9,12-15H2,1-3H3,(H,22,25)