3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-4aH-quinazolin-4-one

Systemtic Name: 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-4aH-quinazolin-4-one Openeye Name: 3-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-2-thioxo-4aH-quinazolin-4-one CAS Name: 3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-4aH-quinazolin-4-one IUPAC Name: 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-4aH-quinazolin-4-one Traditional Name: 3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]ethyl]-2-thioxo-4aH-quinazolin-4-one Formula: C28H25F2N3OS MolecularWeight: 489.579406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5C=CC=CC5=NC4=S

Isomeric SMILES

C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5C=CC=CC5=NC4=S

InChI

InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12,24H,13-18H2