N-(1-cyanocyclohexyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS2/c22-14-21(10-4-1-5-11-21)25-18(26)13-28-20-15-7-2-3-8-16(15)23-19(24-20)17-9-6-12-27-17/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,25,26)