N-(1-cyanocyclohexyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c27-19-26(15-7-2-8-16-26)29-23(31)18-33-25-28-22-14-6-5-13-21(22)24(32)30(25)17-9-12-20-10-3-1-4-11-20/h1,3-6,10-11,13-14H,2,7-9,12,15-18H2,(H,29,31)