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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-2-3-4-7-13-26-20(28)15-9-5-6-10-16(15)25-21(26)29-14-18(27)24-17-11-8-12-23-19(17)22/h5-6,8-12H,2-4,7,13-14H2,1H3,(H,24,27)