2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C26H24FN5OS MolecularWeight: 473.565063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN5OS/c27-19-10-12-20(13-11-19)28-25-22-8-4-5-9-23(22)29-26(30-25)34-18-24(33)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,28,29,30)