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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-pentan-2-yl-ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-methylbutyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-pentan-2-ylacetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(1-methylbutyl)acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S/c1-4-6-7-10-14-24-20(26)17-12-8-9-13-18(17)23-21(24)27-15-19(25)22-16(3)11-5-2/h8-9,12-13,16H,4-7,10-11,14-15H2,1-3H3,(H,22,25)