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

Systemtic Name: N-(3,4-dimethylphenyl)-6-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-hexanamide Openeye Name: N-(3,4-dimethylphenyl)-6-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-hexanamide CAS Name: N-(3,4-dimethylphenyl)-6-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]hexanamide IUPAC Name: N-(3,4-dimethylphenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide Traditional Name: N-(3,4-dimethylphenyl)-6-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]hexanamide Formula: C28H28FN3O2S MolecularWeight: 489.604223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C

InChI

InChI=1S/C28H28FN3O2S/c1-19-11-14-22(18-20(19)2)30-26(33)10-4-3-7-17-35-28-31-25-9-6-5-8-24(25)27(34)32(28)23-15-12-21(29)13-16-23/h5-6,8-9,11-16,18H,3-4,7,10,17H2,1-2H3,(H,30,33)