N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H27FN4O3S MolecularWeight: 482.570283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN4O3S/c1-18(2)33-16-6-15-30-24(32)21-7-3-4-8-22(21)28-25(30)34-17-23(31)29(14-5-13-27)20-11-9-19(26)10-12-20/h3-4,7-12,18H,5-6,14-17H2,1-2H3