3-[2-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H24FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16,20,27H,9-14H2,(H,24,29)