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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-4-6-7-10-13-23-19(25)16-11-8-9-12-17(16)22-20(23)26-14-18(24)21-15(3)5-2/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3,(H,21,24)