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

Systemtic Name: 4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide Openeye Name: 4-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide CAS Name: 4-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylethyl)butanamide IUPAC Name: 4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide Traditional Name: 4-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-phenylethyl)butyramide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F

InChI

InChI=1S/C26H24FN3O2S/c1-18(19-9-3-2-4-10-19)28-24(31)15-8-16-33-26-29-23-14-6-5-13-22(23)25(32)30(26)21-12-7-11-20(27)17-21/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,28,31)