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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H22N4O3S/c23-15-22(10-4-1-5-11-22)25-19(27)14-30-21-24-18-9-3-2-8-17(18)20(28)26(21)13-16-7-6-12-29-16/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,25,27)