3-[4-[4-[2-(1,3-dithian-2-yl)ethyl]piperidin-1-yl]-1-phenyl-butyl]-6-fluoranyl-1,2-benzoxazole

Systemtic Name: 3-[4-[4-[2-(1,3-dithian-2-yl)ethyl]piperidin-1-yl]-1-phenyl-butyl]-6-fluoranyl-1,2-benzoxazole Openeye Name: 3-[4-[4-[2-(1,3-dithian-2-yl)ethyl]-1-piperidyl]-1-phenyl-butyl]-6-fluoro-1,2-benzoxazole CAS Name: 3-[4-[4-[2-(1,3-dithian-2-yl)ethyl]-1-piperidinyl]-1-phenylbutyl]-6-fluoro-1,2-benzoxazole IUPAC Name: 3-[4-[4-[2-(1,3-dithian-2-yl)ethyl]piperidin-1-yl]-1-phenylbutyl]-6-fluoro-1,2-benzoxazole Traditional Name: 3-[4-[4-[2-(1,3-dithian-2-yl)ethyl]piperidino]-1-phenyl-butyl]-6-fluoro-indoxazene Formula: C28H35FN2OS2 MolecularWeight: 498.718703

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)CCC2CCN(CC2)CCCC(C3=CC=CC=C3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

C1CSC(SC1)CCC2CCN(CC2)CCCC(C3=CC=CC=C3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C28H35FN2OS2/c29-23-10-11-25-26(20-23)32-30-28(25)24(22-6-2-1-3-7-22)8-4-15-31-16-13-21(14-17-31)9-12-27-33-18-5-19-34-27/h1-3,6-7,10-11,20-21,24,27H,4-5,8-9,12-19H2