N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[2-(4-fluorophenyl)-7-methyl-4-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]thio]acetamide Formula: C25H26FN3OS MolecularWeight: 435.556843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NCCC4=CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NCCC4=CCCCC4

InChI

InChI=1S/C25H26FN3OS/c1-17-7-12-21-22(15-17)28-24(19-8-10-20(26)11-9-19)29-25(21)31-16-23(30)27-14-13-18-5-3-2-4-6-18/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,27,30)