N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dichloro-2-pyridyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dichloro-2-pyridinyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3,5-dichloropyridin-2-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dichloro-2-pyridyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22Cl2N4O2S MolecularWeight: 465.39598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O2S/c1-2-3-4-7-10-27-20(29)15-8-5-6-9-17(15)25-21(27)30-13-18(28)26-19-16(23)11-14(22)12-24-19/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,24,26,28)