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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c26-18-25(14-6-7-15-25)28-22(30)17-32-24-27-21-13-5-4-12-20(21)23(31)29(24)16-8-11-19-9-2-1-3-10-19/h1-5,9-10,12-13H,6-8,11,14-17H2,(H,28,30)