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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-isobutyl-acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-isobutyl-acetamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-4-5-6-9-12-23-19(25)16-10-7-8-11-17(16)22-20(23)26-14-18(24)21-13-15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,21,24)