2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide

Systemtic Name: 2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide Openeye Name: 2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide CAS Name: 2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylethyl)pentanamide IUPAC Name: 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide Traditional Name: 2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-phenylethyl)valeramide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CCCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C27H26FN3O2S/c1-3-11-24(25(32)29-18(2)19-12-5-4-6-13-19)34-27-30-22-16-9-7-14-20(22)26(33)31(27)23-17-10-8-15-21(23)28/h4-10,12-18,24H,3,11H2,1-2H3,(H,29,32)