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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1SCCCS1)C2=CC=C(C=C2)CCCCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

CC(C1SCCCS1)C2=CC=C(C=C2)CCCCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C28H35FN2OS2/c1-20(28-33-17-4-18-34-28)22-8-6-21(7-9-22)5-2-3-14-31-15-12-23(13-16-31)27-25-11-10-24(29)19-26(25)32-30-27/h6-11,19-20,23,28H,2-5,12-18H2,1H3