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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H22N4O2S2/c1-2-3-4-7-11-25-20(27)16-8-5-6-9-17(16)23-21(25)29-14-18(26)24-19-15(13-22)10-12-28-19/h5-6,8-10,12H,2-4,7,11,14H2,1H3,(H,24,26)