N-(2,6-dimethylphenyl)-4-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C26H24FN3O2S/c1-17-9-7-10-18(2)24(17)29-23(31)15-8-16-33-26-28-21-13-5-3-11-19(21)25(32)30(26)22-14-6-4-12-20(22)27/h3-7,9-14H,8,15-16H2,1-2H3,(H,29,31)