4-fluoranyl-N-[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]benzamide Openeye Name: 4-fluoro-N-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]benzamide CAS Name: 4-fluoro-N-[4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinazolinyl]benzamide IUPAC Name: 4-fluoro-N-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]benzamide Traditional Name: 4-fluoro-N-[4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-3-yl]benzamide Formula: C27H24FN5O3S MolecularWeight: 517.574563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN5O3S/c28-20-12-10-19(11-13-20)25(35)30-33-26(36)22-8-4-5-9-23(22)29-27(33)37-18-24(34)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,30,35)