N-(2-oxidanylideneazepan-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-oxoazepan-3-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-oxo-3-azepanyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H20N4O2S2/c25-17(22-15-8-3-4-10-21-19(15)26)12-28-20-13-6-1-2-7-14(13)23-18(24-20)16-9-5-11-27-16/h1-2,5-7,9,11,15H,3-4,8,10,12H2,(H,21,26)(H,22,25)