N-(2-methylbutan-2-yl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-amyl-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-4-21(2,3)24-18(26)14-28-20-23-17-10-6-5-9-16(17)19(27)25(20)13-15-8-7-11-22-12-15/h5-12H,4,13-14H2,1-3H3,(H,24,26)